SCHEMBL2172877

SCHEMBL2172877

CC(C)(C#N)CCCCN1C(=O)S/C(=C\c2ccc(O)c(Br)c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
SLC2A1 P11166 2/20 0.46
BAG3 O95817 1/20 0.45
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CISD1 Q9NZ45 1/20 0.42
MYC P01106 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2172881 1.00 HSD17B3 (0.52) HSD17B3MEN1KMT2AATMSLC2A1
SCHEMBL13754174 0.89 HSD17B3 (0.54) HSD17B3MEN1KMT2AATMSLC2A1
SCHEMBL2175035 0.87 SLC2A1 (0.63) MEN1KMT2ASLC2A1BAG3S1PR1
SCHEMBL2175040 0.87 SLC2A1 (0.63) MEN1KMT2ASLC2A1BAG3S1PR1
SCHEMBL12406521 0.87 SLC2A1 (0.63) MEN1KMT2ASLC2A1BAG3S1PR1
SCHEMBL2173903 0.85 HSD17B3 (0.55) HSD17B3MEN1KMT2AATMSLC2A1
SCHEMBL2173902 0.85 HSD17B3 (0.55) HSD17B3MEN1KMT2AATMSLC2A1
SCHEMBL2176138 0.84 HSD17B3 (0.58) HSD17B3MEN1KMT2AATMSLC2A1
SCHEMBL2176135 0.84 HSD17B3 (0.58) HSD17B3MEN1KMT2AATMSLC2A1
SCHEMBL2174120 0.83 HSD17B3 (0.59) HSD17B3MEN1KMT2AATMSLC2A1

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-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-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US 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
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US 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 48/4885MEN1 2122/4885KMT2A 1669/4885

“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.