SCHEMBL964262

SCHEMBL964262

CCCCS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cc(Br)cnc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.38
ENPP1 P22413 3/20 0.38
PPARG P37231 12/20 0.36
FGFR1 P11362 2/20 0.33
FGFR4 P22455 2/20 0.33
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL964264 1.00 ENPP3 (0.38) ENPP3ENPP1PPARGFGFR1FGFR4
SCHEMBL967813 0.98 PPARG (0.38) ENPP3ENPP1PPARGFGFR1FGFR4
SCHEMBL967815 0.98 PPARG (0.38) ENPP3ENPP1PPARGFGFR1FGFR4
SCHEMBL962627 0.90 PPARG (0.41) PPARGFGFR1FGFR4
SCHEMBL962628 0.90 PPARG (0.41) PPARGFGFR1FGFR4
SCHEMBL962515 0.89 PPARG (0.39) ENPP3ENPP1PPARGMMP1MMP9
SCHEMBL962514 0.89 PPARG (0.39) ENPP3ENPP1PPARGMMP1MMP9
SCHEMBL963366 0.89 ENPP3 (0.37) ENPP3ENPP1FGFR1FGFR4MMP1
SCHEMBL963367 0.89 ENPP3 (0.37) ENPP3ENPP1FGFR1FGFR4MMP1
SCHEMBL27772688 0.89 ENPP3 (0.35) ENPP3ENPP1PPARGFGFR1FGFR4

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 ENPP3 1924/4885ENPP1 1528/4885PPARG 248/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ENPP3 2208/4885ENPP1 1752/4885PPARG 3/4885

“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.