SCHEMBL964048

SCHEMBL964048

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.36
SHMT2 P34897 1/20 0.36
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
FPR2 P25090 5/20 0.32
PROKR1 Q8TCW9 5/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 1/20 0.31
PGK1 P00558 1/20 0.31
BCDIN3D Q7Z5W3 1/20 0.31
MAPT P10636 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
SCHEMBL5112090 0.86 PHGDH (0.40) PHGDHSHMT2LMNAMAPT
SCHEMBL962358 0.83 CA2 (0.45) PTGS2SMN1; SMN2LMNACA2MAPT
SCHEMBL963189 0.83 MAPK8 (0.36) PHGDHSMN1; SMN2LMNA
SCHEMBL962365 0.83 CDK2 (0.37) SMN1; SMN2LMNA
SCHEMBL963316 0.81 PHGDH (0.34) PHGDHSHMT2TSHRLMNAMAPT
SCHEMBL962741 0.80 PHGDH (0.37) PHGDHSHMT2PTGS1PTGS2PKM
SCHEMBL966068 0.80 SHMT2 (0.38) PHGDHSHMT2TSHRLMNAMAPT
SCHEMBL962742 0.80 PTGS2 (0.35) PHGDHSHMT2PTGS1PTGS2GAA
SCHEMBL962740 0.80 PTGS2 (0.35) PHGDHSHMT2PTGS1PTGS2GAA
SCHEMBL964603 0.79 SMN1; SMN2 (0.35) SMN1; SMN2HSD17B10LMNA

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 1137/4885SHMT2 268/4885PTGS1 509/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PHGDH 1142/4885SHMT2 1516/4885PTGS1 299/4885

“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.