SCHEMBL10105798

SCHEMBL10105798

CC(C)Oc1ncnc(Oc2ccc(S(C)(=O)=O)cc2F)c1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.51
CYP2C9 P11712 2/20 0.51
BRD4 O60885 2/20 0.40
PTGS2 P35354 3/20 0.40
PTGS1 P23219 1/20 0.40
GCK P35557 1/20 0.39
SLC6A9 P48067 1/20 0.38

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
SCHEMBL12271275 0.89 GPR119 (0.60) GPR119CYP2C9BRD4PTGS2PTGS1
SCHEMBL10105824 0.87 GPR119 (0.48) GPR119CYP2C9BRD4PTGS2PTGS1
SCHEMBL10120668 0.86 GPR119 (0.46) GPR119CYP2C9PTGS2PTGS1
SCHEMBL10134280 0.84 PTGS2 (0.45) GPR119CYP2C9BRD4PTGS2PTGS1
SCHEMBL10116422 0.82 GPR119 (0.50) GPR119CYP2C9BRD4PTGS2PTGS1
SCHEMBL10105802 0.80 GPR119 (0.54) GPR119CYP2C9
SCHEMBL10116292 0.79 GPR119 (0.55) GPR119CYP2C9BRD4PTGS2PTGS1
SCHEMBL15381350 0.78 GPR119 (0.53) GPR119CYP2C9BRD4PTGS2PTGS1
SCHEMBL10116389 0.77 GPR119 (0.46) GPR119CYP2C9BRD4PTGS2PTGS1
SCHEMBL10121050 0.77 GPR119 (0.46) GPR119CYP2C9PTGS2PTGS1

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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 999/4885BRD4 42/4885

“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.