SCHEMBL2172370

SCHEMBL2172370

O=C1SC(=Cc2ccc(O)c(Br)c2)C(=O)N1CC1COc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HSD17B3 P37058 8/20 0.47
▸ HPGD P15428 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ CISD1 Q9NZ45 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL2172364 1.00 MAPT (0.50) MAPTKDM4EHTTHSD17B3HPGD
SCHEMBL2171381 0.86 SLC2A1 (0.55) MAPTKDM4EHTTHPGDALDH1A1
SCHEMBL2171384 0.86 SLC2A1 (0.55) MAPTKDM4EHTTHPGDALDH1A1
SCHEMBL12406532 0.86 SLC2A1 (0.55) MAPTKDM4EHTTHPGDALDH1A1
SCHEMBL2175717 0.78 MAPT (0.58) MAPTKDM4EHTTHSD17B3HPGD
SCHEMBL12406432 0.78 MAPT (0.58) MAPTKDM4EHTTHSD17B3HPGD
SCHEMBL2172642 0.76 HSD17B3 (0.60) HSD17B3HPGDLMNAKMT2ACISD1
SCHEMBL2172638 0.76 HSD17B3 (0.60) HSD17B3HPGDLMNAKMT2ACISD1
SCHEMBL2172515 0.75 HSD17B3 (0.46) MAPTKDM4EHSD17B3HPGDALDH1A1
SCHEMBL2172512 0.75 HSD17B3 (0.46) MAPTKDM4EHSD17B3HPGDALDH1A1

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 MAPT 4264/4885KDM4E 3452/4885HTT 3910/4885

“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.

Send feedback