SCHEMBL963812

SCHEMBL963812

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCS(=O)(=O)NC(=O)NCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
PLA2G4A P47712 3/20 0.34
POLB P06746 1/20 0.34
PHGDH O43175 6/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 0.33
PPARG P37231 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL964859 0.92 IRAK4 (0.35) TP53PLA2G4APHGDHMCL1RAB9A
SCHEMBL4554288 0.91 TP53 (0.38) TP53PLA2G4APOLBMCL1PPARG
SCHEMBL964880 0.89 TP53 (0.37) TP53PLA2G4APOLBMCL1PPARG
SCHEMBL963610 0.87 IRAK4 (0.35) TP53PLA2G4APOLBPHGDHMCL1
SCHEMBL968367 0.87 TP53 (0.35) TP53PLA2G4APOLBMCL1RAB9A
SCHEMBL4570493 0.86 PHGDH (0.36) TP53PLA2G4APHGDHMCL1RAB9A
SCHEMBL963060 0.86 TP53 (0.34) TP53PLA2G4APOLBPHGDHMCL1
SCHEMBL963748 0.85 FBP1 (0.39) TP53PLA2G4APOLBMCL1RAB9A
SCHEMBL963042 0.85 TP53 (0.40) TP53PLA2G4APOLBMCL1PPARG
SCHEMBL964870 0.85 PPARG (0.38) TP53PLA2G4APOLBMCL1PPARG

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 TP53 2149/4885PLA2G4A 3024/4885POLB 3524/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TP53 1057/4885PLA2G4A 1094/4885POLB 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.