SCHEMBL962740

SCHEMBL962740

COc1cc2c(ccn2-c2c(/C=C/S(N)(=O)=O)c(C)nn2C)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.35
PTGS1 P23219 2/20 0.35
PHGDH O43175 3/20 0.33
PKM P14618 1/20 0.33
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FPR2 P25090 2/20 0.31
PROKR1 Q8TCW9 2/20 0.31
SHMT2 P34897 1/20 0.31
ALDH3A1 P30838 1/20 0.31
ACLY P53396 1/20 0.31
MAPT P10636 1/20 0.30
NR2F2 P24468 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL962742 1.00 PTGS2 (0.35) PTGS2PTGS1PHGDHPKMCA2
SCHEMBL965371 0.86 SMN1; SMN2 (0.39) PTGS2PHGDHPKMSMN1; SMN2GAA
SCHEMBL964576 0.83 CA2 (0.46) CA2GAAMAPT
SCHEMBL964712 0.83 CA2 (0.46) CA2GAAMAPT
SCHEMBL968527 0.83 CDC7 (0.38) SMN1; SMN2PROKR1MAPTNR2F2HTT
SCHEMBL968529 0.83 CDC7 (0.38) SMN1; SMN2PROKR1MAPTNR2F2HTT
SCHEMBL964785 0.83 SMN1; SMN2 (0.36) PHGDHSMN1; SMN2PROKR1MAPTNR2F2
SCHEMBL964782 0.83 SMN1; SMN2 (0.36) PHGDHSMN1; SMN2PROKR1MAPTNR2F2
SCHEMBL964048 0.80 PHGDH (0.36) PTGS2PTGS1PHGDHPKMCA2
SCHEMBL966011 0.79 KDM4E (0.34) PTGS2PTGS1HSD17B10MAPT

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 PTGS2 1283/4885PTGS1 509/4885PHGDH 1137/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PTGS2 710/4885PTGS1 299/4885PHGDH 1142/4885

“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.