SCHEMBL962091

SCHEMBL962091

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCS(=O)(=O)N(CCC(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 12/20 0.34
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK8 P45983 1/20 0.32
CDK9 P50750 1/20 0.32
MAP2K1 Q02750 1/20 0.32
MST1R Q04912 1/20 0.32
TYRO3 Q06418 1/20 0.32
NTRK3 Q16288 1/20 0.32
CAMK1D Q8IU85 1/20 0.32
ALK Q9UM73 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 1/20 0.32
PLA2G4A P47712 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL967867 0.93 PHGDH (0.35) PHGDHRETPDGFRBPIM1CDK2
SCHEMBL966868 0.91 SLC6A2 (0.35) PHGDHPIM1MAPK8PTGDR2LMNA
SCHEMBL965057 0.89 PTGDR2 (0.34) PHGDHPIM1MAPK8PTGDR2LMNA
SCHEMBL967888 0.89 MAPK8 (0.34) PHGDHPIM1MAPK8PTGDR2LMNA
SCHEMBL962752 0.88 PTGDR2 (0.31) PHGDHPTGDR2LMNA
SCHEMBL963395 0.87 KMT2A (0.37) PHGDHPTGDR2PLA2G4AMEN1KMT2A
SCHEMBL964535 0.86 OXER1 (0.33) PTGDR2LMNAPLA2G4A
SCHEMBL965461 0.86 PTGDR2 (0.32) PHGDHMAPK8PTGDR2LMNA
SCHEMBL966069 0.85 OXER1 (0.34) MAPK8PTGDR2LMNA
SCHEMBL966098 0.85 OXER1 (0.34) MAPK8PTGDR2LMNA

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PHGDH 1142/4885RET 441/4885PDGFRB 204/4885

“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.