SCHEMBL963449

SCHEMBL963449

CCC(=Cc1c(C)nn(C)c1-n1ccc2cc(Br)cnc21)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.37
ENPP1 P22413 3/20 0.37
FGFR1 P11362 2/20 0.33
FGFR4 P22455 2/20 0.33
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL963447 1.00 ENPP3 (0.37) ENPP3ENPP1FGFR1FGFR4HSD17B10
SCHEMBL966305 0.90 SPR (0.30)
SCHEMBL966304 0.90 SPR (0.30)
SCHEMBL967739 0.89 IRAK4 (0.35) FGFR1FGFR4HSD17B10
SCHEMBL964976 0.89 IRAK4 (0.34)
SCHEMBL967741 0.89 IRAK4 (0.35) FGFR1FGFR4HSD17B10
SCHEMBL964974 0.89 IRAK4 (0.34)
SCHEMBL962985 0.86 POLB (0.36)
SCHEMBL962984 0.86 POLB (0.36)
SCHEMBL962301 0.83 PARP1 (0.38) ENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ENPP3 2208/4885ENPP1 1752/4885FGFR1 117/4885

“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.