SCHEMBL10121050

SCHEMBL10121050

COc1ncnc(Oc2ccc(S(C)(=O)=O)cc2F)c1OC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.46
CYP2C9 P11712 1/20 0.46
PTGS2 P35354 9/20 0.44
PTGS1 P23219 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TRPA1 O75762 2/20 0.42
ESR1 P03372 1/20 0.41

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
SCHEMBL13151939 0.91 GPR119 (0.43) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL10133868 0.90 GPR119 (0.43) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL15381349 0.90 GPR119 (0.46) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL10116433 0.89 GPR119 (0.48) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL10105824 0.89 GPR119 (0.48) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL10120668 0.88 GPR119 (0.46) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL10116389 0.87 GPR119 (0.46) GPR119CYP2C9PTGS2PTGS1SMN1; SMN2
SCHEMBL15381350 0.80 GPR119 (0.53) GPR119CYP2C9PTGS2PTGS1TRPA1
SCHEMBL10134280 0.78 PTGS2 (0.45) GPR119CYP2C9PTGS2PTGS1TRPA1
SCHEMBL10120874 0.78 GPR119 (0.56) GPR119CYP2C9ESR1

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R GPR119 1/4885CYP2C9 999/4885PTGS2 1543/4885

“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.