SCHEMBL963395

SCHEMBL963395

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCS(=O)(=O)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PLA2G4A P47712 4/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PHGDH O43175 3/20 0.34
POLB P06746 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PLA2G2A P14555 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32

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
SCHEMBL967888 0.91 MAPK8 (0.34) KMT2AMEN1PLA2G4ATRPM8PTGDR2
SCHEMBL966868 0.89 SLC6A2 (0.35) PLA2G4ATRPM8PTGDR2PHGDHSMN1; SMN2
SCHEMBL967867 0.88 PHGDH (0.35) KMT2AMEN1PLA2G4APTGDR2PHGDH
SCHEMBL965461 0.87 PTGDR2 (0.32) PTGDR2PHGDH
SCHEMBL965057 0.87 PTGDR2 (0.34) PTGDR2PHGDH
SCHEMBL962091 0.87 PHGDH (0.34) KMT2AMEN1PLA2G4APTGDR2PHGDH
SCHEMBL964464 0.87 NPY5R (0.35) PLA2G4APTGDR2PHGDH
SCHEMBL962752 0.86 PTGDR2 (0.31) PTGDR2PHGDH
SCHEMBL966630 0.85 PTGDR2 (0.34) TRPM8PTGDR2PHGDH
SCHEMBL964535 0.85 OXER1 (0.33) PLA2G4APTGDR2

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 1 patent. 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

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 KMT2A 2017/4885MEN1 4766/4885PLA2G4A 1094/4885

“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.