SCHEMBL964464

SCHEMBL964464

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCS(=O)(=O)N(CC1CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.32
CRHR1 P34998 2/20 0.31
FPR2 P25090 2/20 0.31
PROKR1 Q8TCW9 2/20 0.31
BACE1 P56817 1/20 0.31
F10 P00742 3/20 0.31
PHGDH O43175 3/20 0.31
AHR P35869 1/20 0.30
LMNA P02545 1/20 0.30
PLA2G4A P47712 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL964517 0.93 NPY5R (0.35) NPY5RPTGDR2CRHR1FPR2PROKR1
SCHEMBL967888 0.89 MAPK8 (0.34) PTGDR2PHGDHLMNAPLA2G4AMAPK8
SCHEMBL966868 0.87 SLC6A2 (0.35) PTGDR2CRHR1PHGDHLMNAPLA2G4A
SCHEMBL966059 0.87 IRAK4 (0.35) CRHR1F10
SCHEMBL963395 0.87 KMT2A (0.37) PTGDR2PHGDHPLA2G4A
SCHEMBL967867 0.87 PHGDH (0.35) PTGDR2PHGDHLMNAPLA2G4AMAPK8
SCHEMBL965461 0.86 PTGDR2 (0.32) PTGDR2PHGDHLMNAMAPK8MAPK9
SCHEMBL965057 0.86 PTGDR2 (0.34) PTGDR2CRHR1PHGDHLMNAMAPK8
SCHEMBL962091 0.85 PHGDH (0.34) PTGDR2PHGDHLMNAPLA2G4AMAPK8
SCHEMBL962752 0.85 PTGDR2 (0.31) PTGDR2PHGDHLMNA

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 2 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 claimed
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 NPY5R 764/4885PTGDR2 295/4885CRHR1 780/4885

“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.