SCHEMBL2786303

SCHEMBL2786303

CC1(COc2ccc(CC3S[N+](=O)NC3=O)cc2)CCCC(O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ PARP1 P09874 1/20 0.36
▸ PPARG P37231 9/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ FFAR1 O14842 3/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ MPC2 O95563 2/20 0.34
▸ CYP2C8 P10632 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34

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
SCHEMBL2786497 0.88 HPGD (0.67) HPGDKMT2ACYP3A4MEN1ALDH1A1
SCHEMBL1070520 0.85 CYP3A4 (0.77) HPGDKMT2ACYP3A4MEN1ALDH1A1
SCHEMBL12521788 0.74 CYP3A4 (0.75) HPGDKMT2ACYP3A4MEN1ALDH1A1
SCHEMBL8651084 0.74 HPGD (0.40) HPGDKMT2ACYP3A4MEN1ALDH1A1
SCHEMBL11088249 0.72 CYP3A4 (0.79) HPGDKMT2ACYP3A4MEN1ALDH1A1
Ciglitazone SCHEMBL38185 0.71 HPGD (1.00) HPGDKMT2ACYP3A4MEN1ALDH1A1
Ciglitazone SCHEMBL20125581 0.71 HPGD (1.00) HPGDKMT2ACYP3A4MEN1ALDH1A1
Ciglitazone SCHEMBL20125576 0.71 HPGD (1.00) HPGDKMT2ACYP3A4MEN1ALDH1A1
SCHEMBL12521810 0.71 CYP3A4 (0.61) HPGDKMT2ACYP3A4MEN1ALDH1A1
SCHEMBL8651087 0.71 HPGD (0.42) HPGDKMT2ACYP3A4MEN1ALDH1A1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006794-B1 A METHOD FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE ESMOND ROBERT W (US) 2007-11-28 — — EP claimed
US-20060030597-A1 Method of inhibiting angiogenesis GERRITSEN MARY E 2006-02-09 — — US claimed
US-6552055-B2 Peroxidsome proliferator activated receptors DANA-FARBER CANCER INSTITUTE 2003-04-22 — — US claimed
US-20020106796-A1 PAX8-PPARgamma nucleic acid molecules and polypeptides and uses thereof BRIGHAM AND WOMEN'S HOSPITAL, INC., THE 2002-08-08 — — US claimed
US-20010036955-A1 Method of inhibiting angiogenesis GENENTECH, INC. 2001-11-01 — — US claimed
WO-2001052789-A2 PAX8-PPARη NUCLEIC ACID MOLECULES AND POLYPEPTIDES AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2001-07-26 — — WO claimed
US-6207690-B1 TREATING TUMOR BY ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF TRIGLITAZONE COMPOUND BOARD OF REGENTS, THE UNIVERSITY TEXAS SYSTEM 2001-03-27 — — US claimed
EP-1014982-A4 TROGLITAZONE COMPOUNDS FOR TREATING CLIMACTERIC UNIV TEXAS (US) 2001-01-31 — — EP claimed
EP-1014982-A1 TROGLITAZONE COMPOUNDS FOR TREATING CLIMACTERIC THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-07-05 — — EP claimed
WO-1998039006-A1 TROGLITAZONE COMPOUNDS FOR TREATING CLIMACTERIC BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-09-11 — — WO claimed
EP-0719140-A1 USE OF THIAZOLIDINEDIONES TO PREVENT OR DELAY ONSET OF NIDDM Sankyo Company Limited (JP) 1996-07-03 — — EP claimed
WO-1995007694-A1 USE OF THIAZOLIDINEDIONES TO PREVENT OR DELAY ONSET OF NIDDM SANKYO COMPANY, LIMITED (JP) 1995-03-23 — — WO claimed
US-20110300129-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2011-12-08 — — US disclosed
EP-1637138-B1 Use of thiazolidinediones to prevent or delay onset of NIDDM DAIICHI SANKYO CO LTD (JP) 2010-12-01 — — EP disclosed
EP-1133294-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALZHEIMER'S DISEASE, CENTRAL NERVOUS SYSTEM INJURY, AND INFLAMMATORY DISEASES UNIV CASE WESTERN RESERVE (US) 2010-08-25 — — EP disclosed
WO-2010075037-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2010-07-01 — — WO disclosed
WO-1998025598-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING TUMOUR CELL GROWTH DANA-FARBER CANCER INSTITUTE (US) 1998-06-18 — — WO disclosed
EP-0719140-A1 USE OF THIAZOLIDINEDIONES TO PREVENT OR DELAY ONSET OF NIDDM Sankyo Company Limited (JP) 1996-07-03 — — EP disclosed
US-5478852-A Administering SANKYO COMPANY, LIMITED (JP) 1995-12-26 — — US disclosed
WO-1995007694-A1 USE OF THIAZOLIDINEDIONES TO PREVENT OR DELAY ONSET OF NIDDM SANKYO COMPANY, LIMITED (JP) 1995-03-23 — — WO 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 (2 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-20060030597-A1 Method of inhibiting angiogenesis PPARG, PPARA, RXRG HPGD 200/4885KMT2A 3484/4885CYP3A4 2854/4885
US-20010036955-A1 Method of inhibiting angiogenesis PPARG, PPARA, RXRG HPGD 200/4885KMT2A 3484/4885CYP3A4 2854/4885

“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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