SCHEMBL961861

SCHEMBL961861

COCc1nn(C)c(-n2ccc3cc(F)ccc32)c1C=CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ESR1 P03372 1/20 0.34
IDO1 P14902 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.31
CA2 P00918 2/20 0.31
CA5A P35218 2/20 0.31
CA9 Q16790 2/20 0.31
FABP4 P15090 1/20 0.31
PLK2 Q9NYY3 1/20 0.31

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
SCHEMBL961860 1.00 PLA2G4A (0.38) PLA2G4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL966026 0.89 CCNC (0.40) ALDH1A1KDM4EHPGDHSD17B10IDO1
SCHEMBL965623 0.86 MAPT (0.34) ALDH1A1KDM4EHPGDHSD17B10IDO1
SCHEMBL966029 0.84 KDM4E (0.35) ALDH1A1KDM4EHPGDHSD17B10IDO1
SCHEMBL966027 0.84 KDM4E (0.35) ALDH1A1KDM4EHPGDHSD17B10IDO1
SCHEMBL962977 0.84 ALDH1A1 (0.46) PLA2G4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL962979 0.84 ALDH1A1 (0.46) PLA2G4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL963038 0.83 PPARG (0.39) ALDH1A1KDM4EHPGDIDO1MAPT
SCHEMBL963039 0.83 PPARG (0.39) ALDH1A1KDM4EHPGDIDO1MAPT
SCHEMBL963821 0.80 PLA2G4A (0.39) PLA2G4AALDH1A1KDM4EHPGDHSD17B10

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 PLA2G4A 3024/4885ALDH1A1 421/4885KDM4E 1314/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PLA2G4A 1094/4885ALDH1A1 821/4885KDM4E 1776/4885

“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.