SCHEMBL962963

SCHEMBL962963

CCCCCNS(=O)(=O)NC(=O)CCCc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.36
CXCR2 P25025 1/20 0.35
GSK3B P49841 2/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
MAPK8 P45983 1/20 0.33

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
SCHEMBL967852 0.92 CNR1 (0.34) PPARGCNR1CNR2MAPK8
SCHEMBL962013 0.90 GSK3B (0.36) PPARGGSK3BHDAC3HDAC1
SCHEMBL964454 0.87 PPARG (0.42) PPARGGSK3B
SCHEMBL966732 0.85 PPARG (0.47) PPARG
SCHEMBL965519 0.82 PPARG (0.37) PPARGCNR1CNR2HDAC1
SCHEMBL965522 0.82 PPARG (0.37) PPARGCNR1CNR2HDAC1
SCHEMBL964870 0.81 PPARG (0.38) PPARGCNR1CNR2MAPK8
SCHEMBL963042 0.81 TP53 (0.40) PPARGCNR1CNR2MAPK8
SCHEMBL965763 0.80 PPARG (0.41) PPARGMAPK8
SCHEMBL27773059 0.80 PPARG (0.35) PPARGGSK3B

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 248/4885CXCR2 1673/4885GSK3B 1395/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885CXCR2 1857/4885GSK3B 2221/4885

“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.