SCHEMBL2172989

SCHEMBL2172989

CC(C1CCCCC1)N1C(=O)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.49
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
AMY1A P0DUB6 3/20 0.44
PTPN1 P18031 3/20 0.44
DPP4 P27487 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
SOS1 Q07889 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.40
IKBKB O14920 1/20 0.40
KCNH2 Q12809 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2786438 1.00 AKR1B1 (0.49) AKR1B1MAOAMAOBLMNAMAPT
SCHEMBL1670279 0.89 AURKA (0.50) AKR1B1MAOAMAOBLMNAMAPT
SCHEMBL1614599 0.89 AURKA (0.50) AKR1B1MAOAMAOBLMNAMAPT
SCHEMBL2171003 0.85 AKR1B1 (0.47) AKR1B1TDP1ALDH1A1MCL1HPGD
SCHEMBL2784557 0.85 AKR1B1 (0.47) AKR1B1TDP1ALDH1A1MCL1HPGD
SCHEMBL2786612 0.85 MCL1 (0.44) PTPN1ALDH1A1MCL1HPGD
SCHEMBL2172007 0.85 MCL1 (0.44) PTPN1ALDH1A1MCL1HPGD
SCHEMBL2172867 0.84 MCL1 (0.44) LMNAMAPTPTPN1ALDH1A1MCL1
SCHEMBL2173479 0.84 PTPN1 (0.47) MAOBPTPN1TDP1ALDH1A1GAA
SCHEMBL2173147 0.84 MCL1 (0.57) MAOAMAOBPTPN1ALDH1A1MCL1

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 AKR1B1 36/4885MAOA 2761/4885MAOB 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.