SCHEMBL2171469

SCHEMBL2171469

CC1(CN2C(=O)SC(=Cc3ccc(O)c(Br)c3)C2=O)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 9/20 0.52
CISD1 Q9NZ45 2/20 0.50
AURKA O14965 1/20 0.50
MTOR P42345 1/20 0.50
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
BAG3 O95817 1/20 0.47
SLC2A1 P11166 2/20 0.46
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
S1PR1 P21453 1/20 0.44

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
SCHEMBL2171461 1.00 HSD17B3 (0.52) HSD17B3CISD1AURKAMTORPRKAG1
SCHEMBL12712426 0.88 AURKA (0.55) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172737 0.88 AURKA (0.48) HSD17B3CISD1AURKAMTORPRKAG1
SCHEMBL2172739 0.88 AURKA (0.48) HSD17B3CISD1AURKAMTORPRKAG1
SCHEMBL1614991 0.86 SLC2A1 (0.64) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL1613699 0.86 SLC2A1 (0.64) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2173442 0.86 PTPN1 (0.59) CISD1MEN1KMT2AATMLMNA
SCHEMBL2173446 0.86 PTPN1 (0.59) CISD1MEN1KMT2AATMLMNA
SCHEMBL1614993 0.86 SLC2A1 (0.64) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2170994 0.85 AKR1B1 (0.57) 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
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US 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 HSD17B3 48/4885CISD1 1747/4885AURKA 1403/4885

“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.