SCHEMBL2172237

SCHEMBL2172237

CC(C1CCCCC1)N1C(=O)SC(=Cc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
MTOR P42345 1/20 0.43
CES1 P23141 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
PPARG P37231 1/20 0.40
PTPN1 P18031 1/20 0.39
BCL2 P10415 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
PKM P14618 1/20 0.38
PLAU P00749 1/20 0.38
HPN P05981 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL2786112 1.00 AURKA (0.43) AURKAMTORCES1PRKAG1PRKAA1
SCHEMBL2172048 0.92 ALDH1A1 (0.47) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2786293 0.92 ALDH1A1 (0.47) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL1672882 0.91 BCL2 (0.45) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL1614322 0.89 MAPT (0.47) AURKAMTORHDAC1PLAUHPN
SCHEMBL1670279 0.88 AURKA (0.50) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL1614599 0.88 AURKA (0.50) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2785877 0.88 MEN1 (0.43) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2785875 0.88 MEN1 (0.43) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2785880 0.88 MEN1 (0.43) AURKAMTORPRKAG1PRKAA1PRKAB1

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 AURKA 1403/4885MTOR 3342/4885CES1 1158/4885

“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.