SCHEMBL10134288

SCHEMBL10134288

Cc1cc(Nc2ccc(S(C)(=O)=O)cc2F)ncn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.53
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
TNNI3K Q59H18 4/20 0.43
MAPK14 Q16539 1/20 0.42
ALDH3A1 P30838 1/20 0.40
PTGS2 P35354 1/20 0.39
THRB P10828 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
SCHEMBL10116383 0.83 GPR119 (0.52) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL15381351 0.77 GPR119 (0.55) GPR119
SCHEMBL5338827 0.77 GPR119 (0.49) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL2785258 0.75 GPR119 (0.56) GPR119
SCHEMBL10120698 0.75 GPR119 (0.53) GPR119
SCHEMBL3672449 0.74 GPR119 (0.67) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL10133877 0.74 GPR119 (0.61) GPR119
SCHEMBL10116318 0.74 GPR119 (0.53) GPR119
SCHEMBL15381347 0.74 GPR119 (0.49) GPR119
SCHEMBL27734952 0.72 GPR119 (0.49) GPR119CCNA2CDK2CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS GPR119, GPR55, GPR4 GPR119 1/4885CCNA2 4041/4885CDK2 1393/4885

“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.