SCHEMBL2171523

SCHEMBL2171523

CC1(CN2C(=O)SC(=Cc3ccc(O)c4ccccc34)C2=O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KPNA2 P52292 1/20 0.40
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CISD1 Q9NZ45 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ AMY1A P0DUB6 1/20 0.37

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
SCHEMBL2171519 1.00 AKR1B1 (0.44) AKR1B1AURKAMTORPRKAG1PRKAA1
SCHEMBL12406345 1.00 AKR1B1 (0.44) AKR1B1AURKAMTORPRKAG1PRKAA1
SCHEMBL2175161 0.87 NAT1 (0.45) AKR1B1AURKAMTORPRKAG1PRKAA1
SCHEMBL2175164 0.87 NAT1 (0.45) AKR1B1AURKAMTORPRKAG1PRKAA1
SCHEMBL12406355 0.80 AURKA (0.54) AKR1B1AURKAMTORPRKAG1PRKAA1
SCHEMBL2170996 0.78 AKR1B1 (0.57) AKR1B1AURKAMTORPRKAG1PRKAA1
SCHEMBL2170994 0.78 AKR1B1 (0.57) AKR1B1AURKAMTORPRKAG1PRKAA1
SCHEMBL12712426 0.78 AURKA (0.55) AKR1B1AURKAMTORPRKAG1PRKAA1
SCHEMBL2171469 0.77 HSD17B3 (0.52) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2171461 0.77 HSD17B3 (0.52) 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 AKR1B1 36/4885AURKA 1403/4885MTOR 3342/4885

“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.

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