SCHEMBL2171003

SCHEMBL2171003

CC(C1CCCCC1)N1C(=O)SC(=Cc2ccc(O)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.47
MCL1 Q07820 2/20 0.46
PPARG P37231 1/20 0.46
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GSK3B P49841 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2784557 1.00 AKR1B1 (0.47) AKR1B1MCL1PPARGS1PR1S1PR3
SCHEMBL2172007 0.90 MCL1 (0.44) MCL1S1PR1S1PR3ESR1ESR2
SCHEMBL2786612 0.90 MCL1 (0.44) MCL1S1PR1S1PR3ESR1ESR2
SCHEMBL2784736 0.89 MCL1 (0.57) MCL1S1PR1S1PR3HPGDALDH1A1
SCHEMBL2173479 0.89 PTPN1 (0.47) MCL1PPARGS1PR1S1PR3ESR1
SCHEMBL2173147 0.89 MCL1 (0.57) MCL1S1PR1S1PR3HPGDALDH1A1
SCHEMBL2172867 0.89 MCL1 (0.44) MCL1HPGDALDH1A1
SCHEMBL2785911 0.89 PTPN1 (0.47) MCL1PPARGS1PR1S1PR3ESR1
SCHEMBL2173574 0.88 S1PR1 (0.47) MCL1S1PR1S1PR3HPGDALDH1A1
SCHEMBL2784874 0.88 S1PR1 (0.47) MCL1S1PR1S1PR3HPGDALDH1A1

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 8 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
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US 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 AKR1B1 36/4885MCL1 4364/4885PPARG 6/4885

“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.