SCHEMBL967739

SCHEMBL967739

CC/C(=C\c1c(C)nn(C)c1-n1ccc2cc(Cl)cnc21)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.35
FGFR1 P11362 1/20 0.33
FGFR4 P22455 1/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HTT P42858 2/20 0.31
NR2F2 P24468 1/20 0.31
HPGD P15428 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR3C1 P04150 2/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TBXA2R P21731 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
SCHEMBL967741 1.00 IRAK4 (0.35) IRAK4FGFR1FGFR4MAPTSMN1; SMN2
SCHEMBL966304 0.90 SPR (0.30)
SCHEMBL966305 0.90 SPR (0.30)
SCHEMBL964976 0.89 IRAK4 (0.34) IRAK4LMNA
SCHEMBL964974 0.89 IRAK4 (0.34) IRAK4LMNA
SCHEMBL963447 0.89 ENPP3 (0.37) FGFR1FGFR4HSD17B10
SCHEMBL963449 0.89 ENPP3 (0.37) FGFR1FGFR4HSD17B10
SCHEMBL962985 0.86 POLB (0.36) ALDH1A1HPGDNR3C1KDM4E
SCHEMBL962984 0.86 POLB (0.36) ALDH1A1HPGDNR3C1KDM4E
SCHEMBL966083 0.84 MAPT (0.36) MAPTSMN1; SMN2LMNAHTTNR2F2

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 IRAK4 873/4885FGFR1 117/4885FGFR4 157/4885

“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.