SCHEMBL1708302

SCHEMBL1708302

COc1ccc2nc(C)n(-c3cccc(CNc4ccc5c(c4)OC[C@H]5CC(=O)O)c3C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.43
PPARD Q03181 11/20 0.42
PPARG P37231 10/20 0.41
PPARA Q07869 2/20 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
SCHEMBL1708140 0.94 FFAR1 (0.38) FFAR1PPARDPPARG
SCHEMBL1708280 0.91 FFAR1 (0.42) FFAR1PPARDPPARGPPARA
SCHEMBL1708678 0.91 FFAR1 (0.46) FFAR1PPARDPPARGPPARA
SCHEMBL1708266 0.90 FFAR1 (0.41) FFAR1PPARDPPARGPPARA
SCHEMBL10010706 0.90 FFAR1 (0.41) FFAR1PPARDPPARGPPARA
SCHEMBL10010847 0.89 FFAR1 (0.43) FFAR1PPARDPPARGPPARA
SCHEMBL10010389 0.88 FFAR1 (0.41) FFAR1PPARDPPARGPPARA
SCHEMBL1708691 0.87 FFAR1 (0.46) FFAR1PPARDPPARGPPARA
SCHEMBL1708303 0.87 SMN1; SMN2 (0.37)
SCHEMBL1708109 0.87 FFAR1 (0.37) FFAR1PPARDPPARG

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 5 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
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 20/4885PPARD 133/4885PPARG 155/4885

“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.