SCHEMBL963042

SCHEMBL963042

CCCCCS(=O)(=O)NC(=O)NCCc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
PPARG P37231 12/20 0.38
POLB P06746 1/20 0.37
MCL1 Q07820 1/20 0.35
PLA2G4A P47712 1/20 0.34
MAPK8 P45983 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL964870 0.97 PPARG (0.38) TP53PPARGPOLBMCL1PLA2G4A
SCHEMBL964880 0.93 TP53 (0.37) TP53PPARGPOLBMCL1PLA2G4A
SCHEMBL962603 0.92 RAB9A (0.39) TP53PPARGMCL1
SCHEMBL4554288 0.91 TP53 (0.38) TP53PPARGPOLBMCL1PLA2G4A
SCHEMBL966732 0.89 PPARG (0.47) PPARG
SCHEMBL965763 0.87 PPARG (0.41) PPARGMAPK8
SCHEMBL963019 0.86 TP53 (0.37) TP53PPARGPOLBMCL1MAPK8
SCHEMBL963812 0.85 TP53 (0.37) TP53PPARGPOLBMCL1PLA2G4A
SCHEMBL964454 0.85 PPARG (0.42) PPARG
SCHEMBL968367 0.85 TP53 (0.35) TP53POLBMCL1PLA2G4AMAPK8

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 5 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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN 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 TP53 2149/4885PPARG 248/4885POLB 3524/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TP53 1057/4885PPARG 3/4885POLB 1580/4885

“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.