SCHEMBL719128

SCHEMBL719128

Cc1c(C(CC(C)C)Nc2ccc(C(=O)O)cn2)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.48
HCAR2 Q8TDS4 2/20 0.46
GCG P01275 3/20 0.39
GCGR P47871 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
GCK P35557 1/20 0.37

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
SCHEMBL718064 0.90 GABRA5 (0.40) HCAR3GCGGCGR
SCHEMBL724215 0.87 GCG (0.54) GCGGCGR
SCHEMBL719473 0.86 GCG (0.40) HCAR3GCGGCGRNOX1
SCHEMBL719032 0.84 GCGR (0.38) GCGGCGR
SCHEMBL720031 0.77 GCGR (0.43) GCGGCGR
SCHEMBL722249 0.76 MAPT (0.43)
SCHEMBL722924 0.73 GCGR (0.56) GCGGCGR
SCHEMBL718138 0.73 GCGR (0.39) GCGGCGR
SCHEMBL22085347 0.67 HCAR3 (0.69) HCAR3HCAR2NOX1GCK
SCHEMBL11558158 0.67 HCAR3 (0.69) HCAR3HCAR2NOX1GCK

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP HCAR3 2764/4885HCAR2 1464/4885GCG 35/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP HCAR3 2764/4885HCAR2 1464/4885GCG 35/4885

“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.