SCHEMBL1708013

SCHEMBL1708013

CCOc1nc2ccccc2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3CC(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.47
PPARG P37231 9/20 0.41
PPARA Q07869 2/20 0.41
PPARD Q03181 9/20 0.40

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
SCHEMBL1708113 0.93 FFAR1 (0.40) FFAR1PPARGPPARAPPARD
SCHEMBL1708621 0.93 FFAR1 (0.43) FFAR1PPARGPPARAPPARD
SCHEMBL10010980 0.92 FFAR1 (0.45) FFAR1PPARGPPARAPPARD
SCHEMBL1708678 0.91 FFAR1 (0.46) FFAR1PPARGPPARAPPARD
SCHEMBL1708257 0.89 FFAR1 (0.44) FFAR1PPARGPPARAPPARD
SCHEMBL10010847 0.89 FFAR1 (0.43) FFAR1PPARGPPARAPPARD
Trifluoroacetic Acid SCHEMBL1708369 0.88 FFAR1 (0.42) FFAR1PPARGPPARAPPARD
SCHEMBL3796826 0.87 FFAR1 (0.42) FFAR1PPARGPPARAPPARD
SCHEMBL1708014 0.87 MAPT (0.35) FFAR1
SCHEMBL10012602 0.87 FFAR1 (0.41) FFAR1PPARGPPARAPPARD

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R FFAR1 20/4885PPARG 155/4885PPARA 236/4885

“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.