SCHEMBL1070520

SCHEMBL1070520

CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCC(O)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.77
▸ MAPT P10636 2/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ ALDH1A1 P00352 1/20 0.77
▸ TP53 P04637 1/20 0.77
▸ CYP1A2 P05177 1/20 0.77
▸ HPGD P15428 1/20 0.77
▸ ALOX15 P16050 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ HSD17B10 Q99714 1/20 0.77
▸ TDP1 Q9NUW8 1/20 0.77
▸ HRH3 Q9Y5N1 1/20 0.52
▸ FFAR1 O14842 5/20 0.51
▸ PPARA Q07869 2/20 0.51
▸ PPARG P37231 12/20 0.49
▸ MPC2 O95563 2/20 0.48
▸ CYP2C8 P10632 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ RXRA P19793 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12521788 0.89 CYP3A4 (0.75) CYP3A4MAPTMEN1ALDH1A1TP53
SCHEMBL11088249 0.87 CYP3A4 (0.79) CYP3A4MAPTMEN1ALDH1A1TP53
Ciglitazone SCHEMBL38185 0.87 HPGD (1.00) CYP3A4MAPTMEN1ALDH1A1TP53
Ciglitazone SCHEMBL20125581 0.87 HPGD (1.00) CYP3A4MAPTMEN1ALDH1A1TP53
Ciglitazone SCHEMBL20125576 0.87 HPGD (1.00) CYP3A4MAPTMEN1ALDH1A1TP53
Ciglitazone SCHEMBL21582134 0.86 HPGD (0.98) CYP3A4MAPTMEN1ALDH1A1TP53
Ciglitazone SCHEMBL3189397 0.86 HPGD (0.98) CYP3A4MAPTMEN1ALDH1A1TP53
SCHEMBL12521810 0.86 CYP3A4 (0.61) CYP3A4MAPTMEN1ALDH1A1TP53
SCHEMBL2786303 0.85 HPGD (0.55) CYP3A4MAPTMEN1ALDH1A1TP53
Ciglitazone SCHEMBL8498957 0.82 HPGD (0.89) CYP3A4MAPTMEN1ALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9421197-B2 Methods of generating hyper INOS expressing cells and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2016-08-23 — — US claimed
US-20140364461-A1 METHOD OF TREATING DERMATOLOGICAL DISORDERS UNIV CASE WESTERN RESERVE (US) 2014-12-11 — — US claimed
US-20140335105-A1 METHODS OF GENERATING HYPER INOS EXPRESSING CELLS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-13 — — US claimed
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 — — US claimed
EP-2766018-A2 RXR AGONISTS COMPOUNDS AND METHODS Case Western Reserve University (US) 2014-08-20 — — EP claimed
US-8796282-B2 Method of treating dermatological disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-08-05 — — US claimed
US-8790925-B2 Methods of generating hyper iNOS expressing cells and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-29 — — US claimed
US-20140170165-A1 METHODS OF GENERATING HYPER INOS EXPRESSING CELLS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2014-06-19 — — US claimed
WO-2013056232-A2 RXR AGONISTS COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2013-04-18 — — WO claimed
EP-2451455-A2 RXR AGONIST COMPOUNDS AND METHODS Case Western Reserve University (US) 2012-05-16 — — EP claimed
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS LANDRETH GARY E (US) 2012-05-10 — — US claimed
WO-2011100685-A2 METHODS OF GENERATING HYPER INOS EXPRESSING CELLS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2011-08-18 — — WO claimed
WO-2011006157-A2 RXR AGONIST COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2011-01-13 — — WO claimed
US-20100331330-A1 METHODS AND COMPOSITIONS FOR TREATING ISCHEMIC STROKE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-30 — — US claimed
US-20100022600-A1 METHODS AND COMPOSITIONS FOR TREATING CENTRAL NERVOUS SYSTEM TUMORS LANDRETH GARY E 2010-01-28 — — US claimed
US-20090118337-A1 Methods and compositions for treating inflammation CASE WESTERN RESERVE UNIVERSITY 2009-05-07 — — US claimed
US-20090042909-A1 METHOD OF TREATING DERMATOLOGICAL DISORDERS CASE WESTERN RESERVE UNIVERSITY 2009-02-12 — — US claimed
WO-2008070230-A2 METHODS AND COMPOSITIONS FOR TREATING CENTRAL NERVOS SYSTEM TUMORS CASE WESTERN RESERVE UNIVERSITY (US) 2008-06-12 — — WO claimed
WO-2008024749-A2 METHODS AND COMPOSITIONS FOR TREATING ISCHEMIC STROKE CASE WESTERN RESERVE UNIVERSITY (US) 2008-02-28 — — WO claimed
US-9421197-B2 Methods of generating hyper INOS expressing cells and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2016-08-23 — — US disclosed
US-20140364461-A1 METHOD OF TREATING DERMATOLOGICAL DISORDERS UNIV CASE WESTERN RESERVE (US) 2014-12-11 — — US disclosed
US-20140335105-A1 METHODS OF GENERATING HYPER INOS EXPRESSING CELLS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-13 — — US disclosed
US-8796282-B2 Method of treating dermatological disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-08-05 — — US disclosed
US-8790925-B2 Methods of generating hyper iNOS expressing cells and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-29 — — US disclosed
US-20140170165-A1 METHODS OF GENERATING HYPER INOS EXPRESSING CELLS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2014-06-19 — — US disclosed
EP-2451455-A2 RXR AGONIST COMPOUNDS AND METHODS Case Western Reserve University (US) 2012-05-16 — — EP disclosed
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS LANDRETH GARY E (US) 2012-05-10 — — US disclosed
WO-2011091033-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2011-07-28 — — WO disclosed
WO-2011006157-A2 RXR AGONIST COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2011-01-13 — — WO disclosed
US-20100331330-A1 METHODS AND COMPOSITIONS FOR TREATING ISCHEMIC STROKE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-30 — — US disclosed
US-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2010-07-22 — — US disclosed
US-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2010-07-22 — — US disclosed
US-20100022600-A1 METHODS AND COMPOSITIONS FOR TREATING CENTRAL NERVOUS SYSTEM TUMORS LANDRETH GARY E 2010-01-28 — — US disclosed
US-20090118337-A1 Methods and compositions for treating inflammation CASE WESTERN RESERVE UNIVERSITY 2009-05-07 — — US disclosed
US-20090042909-A1 METHOD OF TREATING DERMATOLOGICAL DISORDERS CASE WESTERN RESERVE UNIVERSITY 2009-02-12 — — US disclosed
WO-2008070230-A2 METHODS AND COMPOSITIONS FOR TREATING CENTRAL NERVOS SYSTEM TUMORS CASE WESTERN RESERVE UNIVERSITY (US) 2008-06-12 — — WO disclosed
WO-2008024749-A2 METHODS AND COMPOSITIONS FOR TREATING ISCHEMIC STROKE CASE WESTERN RESERVE UNIVERSITY (US) 2008-02-28 — — WO disclosed
WO-2006132928-A2 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION CASE WESTERN RESERVE UNIVERSITY (US) 2006-12-14 — — WO disclosed
US-6579893-B1 Related thiazolidinediones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-06-17 — — US disclosed
US-6579893-B1 Related thiazolidinediones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-06-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140364461-A1 METHOD OF TREATING DERMATOLOGICAL DISORDERS PPARA, PPARG, PPARD CYP3A4 1555/4885MAPT 2155/4885MEN1 4595/4885
US-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS PPARG, PPARA, PPARD CYP3A4 4831/4885MAPT 1770/4885MEN1 4688/4885
US-20100331330-A1 METHODS AND COMPOSITIONS FOR TREATING ISCHEMIC STROKE PPARG, PPARA, FABP7 CYP3A4 3643/4885MAPT 1654/4885MEN1 4866/4885
US-20090042909-A1 METHOD OF TREATING DERMATOLOGICAL DISORDERS PPARA, PPARG, PPARD CYP3A4 1555/4885MAPT 2155/4885MEN1 4595/4885
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG CYP3A4 1058/4885MAPT 1395/4885MEN1 4760/4885
US-20090118337-A1 Methods and compositions for treating inflammation PPARG, PPARA, PPARD CYP3A4 1874/4885MAPT 4665/4885MEN1 4883/4885
US-20100022600-A1 METHODS AND COMPOSITIONS FOR TREATING CENTRAL NERVOUS SYSTEM TUMORS PPARG, PPARA, FABP7 CYP3A4 2532/4885MAPT 2283/4885MEN1 1518/4885
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG CYP3A4 568/4885MAPT 3596/4885MEN1 4741/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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