SCHEMBL3101356

SCHEMBL3101356

CCOCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(Oc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.41
GCGR P47871 4/20 0.38
EPHX2 P34913 1/20 0.36
GCG P01275 2/20 0.35
SLC6A5 Q9Y345 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
PTPN11 Q06124 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTA4H P09960 1/20 0.33
GIPR P48546 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SRD5A2 P31213 1/20 0.33

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
SCHEMBL3100257 0.92 GCGR (0.37) GCGRGCGSLC6A5TRPV1NPC1
SCHEMBL3112814 0.92 PPARD (0.42) PPARDGCGREPHX2GCGTRPV1
SCHEMBL3099931 0.92 PPARD (0.41) PPARDGCGREPHX2GCGSLC6A5
SCHEMBL3107737 0.89 GCGR (0.52) GCGRGCGGIPR
SCHEMBL3099831 0.88 GCGR (0.40) PPARDGCGRGCGSLC6A5
SCHEMBL3095636 0.85 PPARD (0.40) PPARDGCGREPHX2GCGSLC6A5
SCHEMBL3103092 0.85 PPARD (0.41) PPARDGCGREPHX2GCGTRPV1
SCHEMBL3102447 0.85 RCE1 (0.39) PPARDGCGREPHX2GCGTRPV1
SCHEMBL3112974 0.84 PPARD (0.46) PPARDGCGREPHX2GCGTRPV1
SCHEMBL3112952 0.84 GCGR (0.38) PPARDGCGRGCGSLC6A5TRPV1

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 PPARD 1129/4885GCGR 3/4885EPHX2 1411/4885

“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.