SCHEMBL939376

SCHEMBL939376

COc1cc(C)c(S(=O)(=O)CNc2nc3ccc(C(=O)O)cc3n2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.43
PIN1 Q13526 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL938280 0.80 DHODH (0.43) PPARGALDH1A1SMN1; SMN2
SCHEMBL939378 0.77 PPARG (0.39) PPARGPIN1
SCHEMBL938644 0.73 NPSR1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL1017833 0.71 APEX1 (0.49) ALDH1A1
SCHEMBL939690 0.70 CYP2C9 (0.45) ALDH1A1
SCHEMBL31140534 0.69 PPARG (0.46) PPARG
SCHEMBL11947886 0.69 THRB (0.45)
SCHEMBL11954966 0.68 KDM4E (0.46) ALDH1A1SMN1; SMN2
SCHEMBL18247596 0.67 TDP1 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL938645 0.67 NPSR1 (0.50) ALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 PPARG 625/4885PIN1 4325/4885ALDH1A1 1533/4885

“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.