SCHEMBL962741

SCHEMBL962741

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.37
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
PKM P14618 1/20 0.31
SHMT2 P34897 1/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
PGK1 P00558 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
SCHEMBL964710 0.84 CA2 (0.42)
SCHEMBL968528 0.84 CDC7 (0.35)
SCHEMBL964783 0.84 HTR2A (0.35) PHGDH
SCHEMBL964048 0.80 PHGDH (0.36) PHGDHPTGS1PTGS2PKMSHMT2
SCHEMBL966012 0.80 HTR2A (0.35)
SCHEMBL963136 0.78 CDC7 (0.39)
SCHEMBL962742 0.77 PTGS2 (0.35) PHGDHPTGS1PTGS2PKMSHMT2
SCHEMBL962740 0.77 PTGS2 (0.35) PHGDHPTGS1PTGS2PKMSHMT2
SCHEMBL963161 0.77 IRAK4 (0.32)
SCHEMBL965371 0.76 SMN1; SMN2 (0.39) PHGDHPTGS2PKMSHMT2FPR2

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

“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.