SCHEMBL10133868

SCHEMBL10133868

CCOc1ncnc(Oc2ccc(S(C)(=O)=O)cc2F)c1OC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.43
CYP2C9 P11712 1/20 0.43
PTGS2 P35354 6/20 0.41
PTGS1 P23219 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 3/20 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 0.90 GPR119 (0.46) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL13151939 0.87 GPR119 (0.43) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL10134280 0.86 PTGS2 (0.45) GPR119CYP2C9PTGS2PTGS1TRPA1
SCHEMBL15381349 0.85 GPR119 (0.46) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL10116433 0.85 GPR119 (0.48) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL10105824 0.85 GPR119 (0.48) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL10116389 0.82 GPR119 (0.46) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL10120668 0.81 GPR119 (0.46) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL15381381 0.80 GPR119 (0.53) GPR119CYP2C9
SCHEMBL15381350 0.76 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3097/4885PTGS2 1276/4885

“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.