SCHEMBL968581

SCHEMBL968581

CCCS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.37
MAPT P10636 1/20 0.34
NR2F2 P24468 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IRAK4 Q9NWZ3 4/20 0.34
FGFR1 P11362 1/20 0.33
FGFR4 P22455 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NR3C1 P04150 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
SCHEMBL968579 1.00 PPARG (0.37) PPARGMAPTNR2F2HTTSMN1; SMN2
SCHEMBL962628 0.95 PPARG (0.41) PPARGMAPTNR2F2HTTSMN1; SMN2
SCHEMBL962627 0.95 PPARG (0.41) PPARGMAPTNR2F2HTTSMN1; SMN2
SCHEMBL966607 0.94 PPARG (0.44) PPARGIRAK4
SCHEMBL966605 0.94 PPARG (0.44) PPARGIRAK4
SCHEMBL962199 0.88 PPARG (0.39) PPARGALDH1A1HPGDNR3C1
SCHEMBL962197 0.88 PPARG (0.39) PPARGALDH1A1HPGDNR3C1
SCHEMBL966858 0.87 PPARG (0.33) PPARGMAPTNR2F2HTTSMN1; SMN2
SCHEMBL966859 0.87 PPARG (0.33) PPARGMAPTNR2F2HTTSMN1; SMN2
SCHEMBL28785076 0.87 PPARG (0.34) PPARGMAPTNR2F2HTTSMN1; SMN2

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 PPARG 248/4885MAPT 4343/4885NR2F2 2010/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885MAPT 4720/4885NR2F2 201/4885

“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.