SCHEMBL964029

SCHEMBL964029

CCCCCS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1nc(C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.40
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 2/20 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
SCHEMBL964030 1.00 PPARG (0.40) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL965424 0.92 PPARG (0.42) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL965422 0.92 PPARG (0.42) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL966137 0.86 POLB (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL966139 0.86 POLB (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL962780 0.86 PPARG (0.39) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL962779 0.86 PPARG (0.39) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL963901 0.84 PPARG (0.43) PPARGCNR2
SCHEMBL963900 0.84 PPARG (0.43) PPARGCNR2
SCHEMBL962746 0.83 PPARG (0.40) PPARGNPC1ALDH1A1RAB9ASMN1; 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 248/4885NPC1 441/4885ALDH1A1 421/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885NPC1 1538/4885ALDH1A1 821/4885

“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.