SCHEMBL1074758

SCHEMBL1074758

O=C1NC(=O)C(Cc2ccc(OCC3CCCC(CO)C3)cc2)S1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 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
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
FFAR1 O14842 7/20 0.54
PPARA Q07869 2/20 0.54
PPARG P37231 12/20 0.51
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
SCHEMBL1299773 0.88 HPGD (0.62) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL1300284 0.87 HPGD (0.64) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL8310671 0.86 FFAR1 (0.63) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL8310673 0.86 FFAR1 (0.63) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL11033260 0.81 HPGD (0.58) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL3399407 0.81 MAPT (0.62) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL1299561 0.80 HRH3 (0.63) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL1300308 0.79 HRH3 (0.65) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL17536165 0.78 FFAR1 (0.69) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL16474084 0.78 HPGD (0.49) MAPTCYP3A4MEN1ALDH1A1TP53

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682125-B2 Compositions and methods for treating cognitive deficits CASE WESTERN RESERVE UNIVERSITY (US) 2017-06-20 US claimed
US-6579893-B1 Related thiazolidinediones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-06-17 US claimed
US-9682125-B2 Compositions and methods for treating cognitive deficits CASE WESTERN RESERVE UNIVERSITY (US) 2017-06-20 US disclosed
US-20150374792-A1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DEFICITS CASE WESTERN RESERVE UNIVERSITY 2015-12-31 US disclosed
US-9132170-B2 Compositions and methods for treating cognitive deficits CASE WESTERN RESERVE UNIVERSITY (US) 2015-09-15 US disclosed
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 US disclosed
EP-2766018-A2 RXR AGONISTS COMPOUNDS AND METHODS Case Western Reserve University (US) 2014-08-20 EP disclosed
US-20130190230-A1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DEFICITS CASE WESTERN RESERVE UNIVERSITY (US) 2013-07-25 US disclosed
WO-2013056232-A2 RXR AGONISTS COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2013-04-18 WO 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-2011006157-A2 RXR AGONIST COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2011-01-13 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 (4 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-20150374792-A1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DEFICITS IAPP, APP, PYGB MAPT 18/4885CYP3A4 4766/4885MEN1 802/4885
US-20130190230-A1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DEFICITS IAPP, APP, PYGB MAPT 18/4885CYP3A4 4766/4885MEN1 802/4885
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG MAPT 1395/4885CYP3A4 1058/4885MEN1 4760/4885
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG MAPT 3596/4885CYP3A4 568/4885MEN1 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.