SCHEMBL967085

SCHEMBL967085

CCCCCS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1cc(C)c2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.38
CNR1 P21554 10/20 0.35
CNR2 P34972 10/20 0.35
CFTR P13569 1/20 0.33
PTGER3 P43115 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
SCHEMBL967084 1.00 PPARG (0.38) PPARGCNR1CNR2CFTRPTGER3
SCHEMBL965586 0.92 PPARG (0.42) PPARGCNR1CNR2
SCHEMBL965588 0.92 PPARG (0.42) PPARGCNR1CNR2
SCHEMBL963300 0.88 TP53 (0.35) CNR1CNR2CFTRPTGER3
SCHEMBL963301 0.88 TP53 (0.35) CNR1CNR2CFTRPTGER3
SCHEMBL966145 0.86 PPARG (0.38) PPARGCNR1CNR2
SCHEMBL963879 0.86 PPARG (0.38) PPARGCNR1CNR2
SCHEMBL963601 0.82 ENPP3 (0.42) PTGER3
SCHEMBL963599 0.82 ENPP3 (0.42) PTGER3
SCHEMBL963901 0.81 PPARG (0.43) PPARGCNR1CNR2

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 248/4885CNR1 1414/4885CNR2 2360/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885CNR1 153/4885CNR2 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.