SCHEMBL10133877

SCHEMBL10133877

COc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1C

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.61
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL10120667 0.89 GPR119 (0.52) GPR119CYP3A4CYP2C9LRRK2
SCHEMBL10120874 0.88 GPR119 (0.56) GPR119CYP3A4CYP2C9LRRK2
SCHEMBL10116445 0.87 GPR119 (0.62) GPR119LRRK2
SCHEMBL15381351 0.85 GPR119 (0.55) GPR119CYP3A4CYP2C9
SCHEMBL10121281 0.84 GPR119 (0.49) GPR119CYP3A4CYP2C9
SCHEMBL15381347 0.83 GPR119 (0.49) GPR119CYP3A4CYP2C9
SCHEMBL10120698 0.83 GPR119 (0.53) GPR119CYP3A4CYP2C9
SCHEMBL2785258 0.83 GPR119 (0.56) GPR119CYP3A4CYP2C9
SCHEMBL15381381 0.82 GPR119 (0.53) GPR119CYP3A4CYP2C9
SCHEMBL1890870 0.81 GPR119 (0.69) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907095-B2 Bicyclic heterocycle derivatives and their use as modulators of the activity of GPR119 MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-8580807-B2 Bicyclic piperidine and piperazine derivatives as GPCR modulators for the treatment of obesity, diabetes and other metabolic disorders MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 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 (2 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-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS GPR119, GPR55, GPR4 GPR119 1/4885CYP3A4 2746/4885CYP2C9 3097/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 GPR119 1/4885CYP3A4 2054/4885CYP2C9 1112/4885

“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.