SCHEMBL3101927

SCHEMBL3101927

CCc1oc(-c2ccc(OC(F)(F)F)cc2)cc1COc1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.49
PTGER4 P35408 1/20 0.46
GIPR P48546 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
ADCY6 O43306 1/20 0.44
ADCY3 O60266 1/20 0.44
ADCY9 O60503 1/20 0.44
ADCY5 O95622 1/20 0.44
ADCY8 P40145 1/20 0.44
ADCY7 P51828 1/20 0.44
ADCY2 Q08462 1/20 0.44
ADCY1 Q08828 1/20 0.44
ADCY4 Q8NFM4 1/20 0.44

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
SCHEMBL3106760 0.92 SPHK2 (0.46) GCGRGIPR
SCHEMBL3090570 0.82 GCGR (0.56) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2667055 0.79 FFAR1 (0.54) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL3104908 0.78 PPARD (0.46) PTGER4
SCHEMBL3107388 0.78 PPARD (0.58) PTGER4
SCHEMBL3101002 0.78 PPARD (0.43) GCGRPTGER4
SCHEMBL14039406 0.78 FFAR1 (0.52) GCGRPTGER4GIPRCYP3A4CYP2C8
SCHEMBL3106672 0.77 GCGR (0.49) GCGRGIPR
SCHEMBL2667053 0.77 GCGR (0.54) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2667025 0.76 GCGR (0.57) GCGRGIPRCYP3A4CYP2C8CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR GCGR 3/4885PTGER4 1524/4885GIPR 7/4885

“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.