SCHEMBL964208

SCHEMBL964208

CCCCCS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2c(C)cccc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.39
CNR2 P34972 2/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL964207 1.00 PPARG (0.39) PPARGCNR2NPC1ALDH1A1RAB9A
SCHEMBL967509 0.92 PPARG (0.43) PPARG
SCHEMBL967508 0.92 PPARG (0.43) PPARG
SCHEMBL962744 0.88 PPARG (0.40) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL962746 0.88 PPARG (0.40) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL963901 0.84 PPARG (0.43) PPARGCNR2
Potassium Ion SCHEMBL963263 0.84 NPC1 (0.31) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL963900 0.84 PPARG (0.43) PPARGCNR2
SCHEMBL964865 0.82 PPARG (0.41) PPARGSMN1; SMN2
SCHEMBL965375 0.82 PPARG (0.38) PPARG

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 248/4885CNR2 2360/4885NPC1 441/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885CNR2 290/4885NPC1 1538/4885

“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.