SCHEMBL2171601

SCHEMBL2171601

O=C1SC(=Cc2ccc(O)c(Br)c2)C(=O)N1Cc1cc(F)cc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 6/20 0.54
▸ ENPP2 Q13822 3/20 0.50
▸ PTPN1 P18031 4/20 0.49
▸ ACP1 P24666 4/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ PPARG P37231 2/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ NOD2 Q9HC29 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL2171597 1.00 HSD17B3 (0.54) HSD17B3ENPP2PTPN1ACP1ALOX5
SCHEMBL2175506 0.86 SLC2A1 (0.60) ENPP2PTPN1ACP1ALOX5PPARG
SCHEMBL12406529 0.86 SLC2A1 (0.60) ENPP2PTPN1ACP1ALOX5PPARG
SCHEMBL2175512 0.86 SLC2A1 (0.60) ENPP2PTPN1ACP1ALOX5PPARG
SCHEMBL2174338 0.84 MEN1 (0.64) HSD17B3ENPP2PTPN1ACP1PPARG
SCHEMBL2174336 0.84 MEN1 (0.64) HSD17B3ENPP2PTPN1ACP1PPARG
SCHEMBL13754231 0.82 HSD17B3 (0.61) HSD17B3ENPP2PTPN1ACP1MEN1
SCHEMBL2176319 0.80 HSD17B3 (0.58) HSD17B3ENPP2PTPN1ACP1MEN1
SCHEMBL2176314 0.80 HSD17B3 (0.58) HSD17B3ENPP2PTPN1ACP1MEN1
SCHEMBL28978727 0.79 ENPP2 (0.51) ENPP2PTPN1ACP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 — — EP claimed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 — — US claimed
EP-2254576-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS The Ohio State University Research Foundation (US) 2010-12-01 — — EP claimed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 — — US claimed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 — — WO claimed
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 — — EP disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 — — US disclosed
EP-2254576-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS The Ohio State University Research Foundation (US) 2010-12-01 — — EP disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 — — US disclosed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 — — 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 (1 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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 HSD17B3 48/4885ENPP2 2188/4885PTPN1 2303/4885

“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.

Send feedback