SCHEMBL10116433

SCHEMBL10116433

COc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.48
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 8/20 0.40
PTGS1 P23219 3/20 0.40
TRPA1 O75762 2/20 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
SCHEMBL10121050 0.89 GPR119 (0.46) GPR119CYP2C9SMN1; SMN2PTGS2PTGS1
SCHEMBL10116422 0.87 GPR119 (0.50) GPR119CYP2C9SMN1; SMN2PTGS2PTGS1
SCHEMBL13151939 0.86 GPR119 (0.43) GPR119CYP2C9SMN1; SMN2PTGS2PTGS1
SCHEMBL10133868 0.85 GPR119 (0.43) GPR119CYP2C9SMN1; SMN2PTGS2PTGS1
SCHEMBL15381349 0.84 GPR119 (0.46) GPR119CYP2C9SMN1; SMN2PTGS2PTGS1
SCHEMBL10105824 0.84 GPR119 (0.48) GPR119CYP2C9SMN1; SMN2PTGS2PTGS1
SCHEMBL10116389 0.81 GPR119 (0.46) GPR119CYP2C9SMN1; SMN2PTGS2PTGS1
SCHEMBL10120668 0.80 GPR119 (0.46) GPR119CYP2C9SMN1; SMN2PTGS2PTGS1
SCHEMBL10116439 0.80 GPR119 (0.54) GPR119CYP2C9
SCHEMBL15381350 0.75 GPR119 (0.53) GPR119CYP2C9PTGS2PTGS1TRPA1

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 1/4885CYP2C9 3097/4885SMN1; SMN2 4650/4885

“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.