SCHEMBL1614599

SCHEMBL1614599

CC(C1CCCCC1)N1C(=O)SC(=Cc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
MTOR P42345 1/20 0.50
PRKAG1 P54619 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
BCL2 P10415 5/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
HDAC1 Q13547 1/20 0.41
AMY1A P0DUB6 2/20 0.41
PTPN1 P18031 2/20 0.41
DPP4 P27487 2/20 0.41
MCL1 Q07820 1/20 0.41
AKR1B1 P15121 1/20 0.41
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL1670279 1.00 AURKA (0.50) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172048 0.89 ALDH1A1 (0.47) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2786293 0.89 ALDH1A1 (0.47) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2786438 0.89 AKR1B1 (0.49) MAOAMAOBAMY1APTPN1DPP4
SCHEMBL2172989 0.89 AKR1B1 (0.49) MAOAMAOBAMY1APTPN1DPP4
SCHEMBL2172237 0.88 AURKA (0.43) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2786112 0.88 AURKA (0.43) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL1672882 0.88 BCL2 (0.45) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2176644 0.87 AURKA (0.44) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2788680 0.87 AURKA (0.44) 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 14 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-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 US claimed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US claimed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 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-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 US disclosed
EP-2488027-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS The Ohio State University Research Foundation (US) 2012-08-22 EP disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US disclosed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 WO disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 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 (2 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-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS PCK2, AK2, SIRT6 AURKA 1441/4885MTOR 251/4885PRKAG1 25/4885
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 AURKA 1403/4885MTOR 3342/4885PRKAG1 330/4885

“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.