SCHEMBL2173013

SCHEMBL2173013

CCOC(=O)CCCN1C(=O)SC(=Cc2ccc(O)c(Br)c2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BAG3 O95817 1/20 0.63
▸ ALDH1A1 P00352 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HSD17B3 P37058 6/20 0.55
▸ PPARG P37231 6/20 0.53
▸ S1PR1 P21453 1/20 0.52
▸ S1PR3 Q99500 1/20 0.52
▸ ATM Q13315 1/20 0.50
▸ HPGD P15428 1/20 0.48

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
SCHEMBL2173010 1.00 BAG3 (0.63) BAG3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2174120 0.86 HSD17B3 (0.59) BAG3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2174117 0.86 HSD17B3 (0.59) BAG3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2172198 0.85 SLC2A1 (0.64) BAG3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12406504 0.85 SLC2A1 (0.64) BAG3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2172201 0.85 SLC2A1 (0.64) BAG3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2176135 0.85 HSD17B3 (0.58) BAG3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2176138 0.85 HSD17B3 (0.58) BAG3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2174019 0.85 HSD17B3 (0.62) BAG3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2174023 0.85 HSD17B3 (0.62) BAG3ALDH1A1MEN1KMT2ASMN1; SMN2

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 BAG3 2862/4885ALDH1A1 96/4885MEN1 2122/4885

“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