SCHEMBL10116299

SCHEMBL10116299

Cc1c(Oc2ccc(S(C)(=O)=O)cc2Cl)ncnc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
PTGS1 P23219 4/20 0.44
GPR119 Q8TDV5 5/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LRRK2 Q5S007 1/20 0.37
GLP1R P43220 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
SCN1A P35498 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN8A Q9UQD0 2/20 0.36
LMNA P02545 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL12271442 0.85 GPR119 (0.46) PTGS2PTGS1GPR119CYP2C9ALOX5AP
SCHEMBL10116292 0.85 GPR119 (0.55) PTGS2PTGS1GPR119CYP2C9
SCHEMBL10116303 0.85 GPR119 (0.42) GPR119CYP2C9ALOX5APFEN1SCN1A
SCHEMBL10116291 0.77 LMNA (0.37) LRRK2LMNA
SCHEMBL10116312 0.75 LRRK2 (0.49) GPR119LRRK2
SCHEMBL10116289 0.72 GPR119 (0.40) GPR119CYP2C9LMNA
SCHEMBL10116389 0.71 GPR119 (0.46) PTGS2PTGS1GPR119CYP2C9
SCHEMBL10116304 0.71 GPR119 (0.49) GPR119CYP2C9
SCHEMBL12271648 0.71 GPR119 (0.44) GPR119CYP2C9SCN1ASCN5ASCN8A
SCHEMBL12271275 0.71 GPR119 (0.60) PTGS2PTGS1GPR119CYP2C9

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 PTGS2 1276/4885PTGS1 1294/4885GPR119 1/4885

“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.