SCHEMBL2173043

SCHEMBL2173043

COc1ccc(S(=O)(=O)Nc2ccc(C=C3SC(=O)N(C(C)C4CCCCC4)C3=O)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
AURKA O14965 1/20 0.43
MTOR P42345 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 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
SCHEMBL2785723 1.00 ALDH1A1 (0.48) ALDH1A1HDAC4HDAC1LMNAHTT
SCHEMBL1614322 0.89 MAPT (0.47) ALDH1A1HDAC4HDAC1LMNASMN1; SMN2
SCHEMBL2786293 0.86 ALDH1A1 (0.47) ALDH1A1HDAC4HDAC1LMNAHTT
SCHEMBL2172048 0.86 ALDH1A1 (0.47) ALDH1A1HDAC4HDAC1LMNAHTT
SCHEMBL2172237 0.85 AURKA (0.43) ALDH1A1HDAC4HDAC1LMNASMN1; SMN2
SCHEMBL2786112 0.85 AURKA (0.43) ALDH1A1HDAC4HDAC1LMNASMN1; SMN2
SCHEMBL1672882 0.85 BCL2 (0.45) ALDH1A1LMNAHTTSMN1; SMN2AURKA
SCHEMBL2788680 0.84 AURKA (0.44) ALDH1A1LMNASMN1; SMN2AURKAMTOR
SCHEMBL2176644 0.84 AURKA (0.44) ALDH1A1LMNASMN1; SMN2AURKAMTOR
SCHEMBL1614599 0.83 AURKA (0.50) ALDH1A1HDAC1LMNAAURKAMTOR

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 7 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
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 ALDH1A1 96/4885HDAC4 89/4885HDAC1 103/4885

“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.