SCHEMBL964737

SCHEMBL964737

CCCCCS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
TLR8 Q9NR97 1/20 0.36
CNR2 P34972 3/20 0.35
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
HDAC8 Q9BY41 1/20 0.34
CNR1 P21554 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
AHR P35869 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
SCHEMBL964739 1.00 PPARG (0.40) PPARGTLR8CNR2NPC1ALDH1A1
SCHEMBL966729 0.87 PPARG (0.39) PPARGHDAC8
SCHEMBL966731 0.87 PPARG (0.39) PPARGHDAC8
SCHEMBL964240 0.86 PPARG (0.39) PPARGCNR2NPC1ALDH1A1RAB9A
SCHEMBL964243 0.86 PPARG (0.39) PPARGCNR2NPC1ALDH1A1RAB9A
SCHEMBL964202 0.85 ALDH1A1 (0.42) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL964204 0.85 ALDH1A1 (0.42) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL961638 0.84 PPARG (0.44) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL961635 0.84 PPARG (0.44) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
Potassium Ion SCHEMBL967647 0.83 CNR2 (0.35) TLR8CNR2NPC1ALDH1A1RAB9A

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 248/4885TLR8 1701/4885CNR2 2360/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885TLR8 462/4885CNR2 290/4885

“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.