SCHEMBL3634818

SCHEMBL3634818

C=CC(=O)C(N)c1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.49
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.44
SRD5A2 P31213 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA3 P07451 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
TYR P14679 1/20 0.39
DRD1 P21728 1/20 0.39
CA4 P22748 1/20 0.39
ENPEP Q07075 1/20 0.39
OPRD1 P41143 1/20 0.38

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
SCHEMBL12833060 0.82 CYP2C19 (0.44) TDP1CYP2C19CYP2D6
SCHEMBL2266882 0.78 HSD17B10 (0.57) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL2266884 0.78 HSD17B10 (0.57) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL8258234 0.78 HSD17B10 (0.57) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL2852452 0.77 ANPEP (0.52) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL8138198 0.76 ANPEP (0.55) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL5374859 0.76 ANPEP (0.55) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL1566557 0.75 CYP1B1 (0.47) ANPEPALDH1A1CA1CA2MEN1
SCHEMBL27776329 0.75 CYP1B1 (0.47) ANPEPALDH1A1CA1CA2MEN1
SCHEMBL8870031 0.75 ANPEP (0.46) ANPEPTSHRTP53SRD5A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150252019-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2015-09-10 US disclosed
US-9067929-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-30 US disclosed
US-20140073661-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-03-13 US disclosed
US-8586600-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2013-11-19 US disclosed
US-20120238593-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
US-8242271-B2 Heterocyclic compounds and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-08-14 US disclosed
EP-2152079-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2010-02-17 EP disclosed
WO-2008151183-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-11 WO disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 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 (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-20150252019-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 ANPEP 1138/4885TSHR 3523/4885TP53 694/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 ANPEP 1138/4885TSHR 3523/4885TP53 694/4885
US-20140073661-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 ANPEP 1138/4885TSHR 3523/4885TP53 694/4885
US-20120238593-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 ANPEP 1138/4885TSHR 3523/4885TP53 694/4885

“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.