SCHEMBL2171796

SCHEMBL2171796

CC1(C)CC(CN2C(=O)SC(=Cc3ccc(O)c(C(F)(F)F)c3)C2=O)OCO1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.57
▸ S1PR1 P21453 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BAG3 O95817 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ ESRRA P11474 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL2171794 1.00 SLC2A1 (0.57) SLC2A1S1PR1MEN1KMT2AALDH1A1
SCHEMBL12406520 1.00 SLC2A1 (0.57) SLC2A1S1PR1MEN1KMT2AALDH1A1
SCHEMBL15223528 0.89 KMT2A (0.43) SLC2A1S1PR1MEN1KMT2AALDH1A1
SCHEMBL2172512 0.87 HSD17B3 (0.46) SLC2A1S1PR1MEN1KMT2AALDH1A1
SCHEMBL2172515 0.87 HSD17B3 (0.46) SLC2A1S1PR1MEN1KMT2AALDH1A1
SCHEMBL12406522 0.80 SLC2A1 (0.58) SLC2A1S1PR1MEN1KMT2AALDH1A1
SCHEMBL2171095 0.80 SLC2A1 (0.58) SLC2A1S1PR1MEN1KMT2AALDH1A1
SCHEMBL2172182 0.77 SLC2A1 (0.78) SLC2A1S1PR1MEN1KMT2AALDH1A1
SCHEMBL2172187 0.77 SLC2A1 (0.78) SLC2A1S1PR1MEN1KMT2AALDH1A1
SCHEMBL12406452 0.77 SLC2A1 (0.78) SLC2A1S1PR1MEN1KMT2AALDH1A1

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 10 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
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 SLC2A1 2158/4885S1PR1 1608/4885MEN1 2122/4885

“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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