SCHEMBL2173479

SCHEMBL2173479

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
CISD1 Q9NZ45 2/20 0.46
MAOB P27338 1/20 0.46
CA9 Q16790 1/20 0.45
GAA P10253 1/20 0.44
PPARG P37231 1/20 0.44
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
MCL1 Q07820 3/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 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
SCHEMBL2785911 1.00 PTPN1 (0.47) PTPN1CISD1MAOBCA9GAA
SCHEMBL2172007 0.89 MCL1 (0.44) PTPN1MYCMAXS1PR1S1PR3
SCHEMBL2171003 0.89 AKR1B1 (0.47) PPARGS1PR1S1PR3MCL1ESR1
SCHEMBL2786612 0.89 MCL1 (0.44) PTPN1MYCMAXS1PR1S1PR3
SCHEMBL2784557 0.89 AKR1B1 (0.47) PPARGS1PR1S1PR3MCL1ESR1
SCHEMBL2173147 0.88 MCL1 (0.57) PTPN1MAOBS1PR1S1PR3MCL1
SCHEMBL2172867 0.88 MCL1 (0.44) PTPN1MCL1ALDH1A1HPGDMEN1
SCHEMBL2784736 0.88 MCL1 (0.57) PTPN1MAOBS1PR1S1PR3MCL1
SCHEMBL2786112 0.87 AURKA (0.43) PTPN1CA9PPARGESR1ESR2
SCHEMBL2172237 0.87 AURKA (0.43) PTPN1CA9PPARGESR1ESR2

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 PTPN1 2303/4885CISD1 1747/4885MAOB 2488/4885

“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.