SCHEMBL2172007

SCHEMBL2172007

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
PTPN1 P18031 4/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL2786612 1.00 MCL1 (0.44) MCL1ALDH1A1HPGDPTPN1POLB
SCHEMBL2171003 0.90 AKR1B1 (0.47) MCL1ALDH1A1HPGDS1PR1S1PR3
SCHEMBL2784557 0.90 AKR1B1 (0.47) MCL1ALDH1A1HPGDS1PR1S1PR3
SCHEMBL2173479 0.89 PTPN1 (0.47) MCL1ALDH1A1HPGDPTPN1KDM4E
SCHEMBL2173147 0.89 MCL1 (0.57) MCL1ALDH1A1HPGDPTPN1S1PR1
SCHEMBL2785911 0.89 PTPN1 (0.47) MCL1ALDH1A1HPGDPTPN1KDM4E
SCHEMBL2172867 0.89 MCL1 (0.44) MCL1ALDH1A1HPGDPTPN1POLB
SCHEMBL2784736 0.89 MCL1 (0.57) MCL1ALDH1A1HPGDPTPN1S1PR1
SCHEMBL2785234 0.87 FAAH (0.53) MCL1ALDH1A1HPGDS1PR1S1PR3
SCHEMBL2171191 0.87 FAAH (0.53) MCL1ALDH1A1HPGDS1PR1S1PR3

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
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
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 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 (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 MCL1 4364/4885ALDH1A1 96/4885HPGD 183/4885

“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.