SCHEMBL965461

SCHEMBL965461

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
PHGDH O43175 6/20 0.31
LMNA P02545 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
NMT1 P30419 1/20 0.30
OXER1 Q8TDS5 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
SCHEMBL962752 0.92 PTGDR2 (0.31) PTGDR2PHGDHLMNAOXER1
SCHEMBL964535 0.90 OXER1 (0.33) PTGDR2LMNAOXER1
SCHEMBL967888 0.90 MAPK8 (0.34) PTGDR2PHGDHLMNAMAPK8MAPK9
SCHEMBL966868 0.88 SLC6A2 (0.35) PTGDR2PHGDHLMNAMAPK8MAPK9
SCHEMBL967867 0.87 PHGDH (0.35) PTGDR2PHGDHLMNAMAPK8
SCHEMBL963395 0.87 KMT2A (0.37) PTGDR2PHGDH
SCHEMBL965057 0.87 PTGDR2 (0.34) PTGDR2PHGDHLMNAMAPK8MAPK9
SCHEMBL962091 0.86 PHGDH (0.34) PTGDR2PHGDHLMNAMAPK8
SCHEMBL964464 0.86 NPY5R (0.35) PTGDR2PHGDHLMNAMAPK8MAPK9
SCHEMBL966069 0.83 OXER1 (0.34) PTGDR2LMNAMAPK8MAPK9MAPK10

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 PTGDR2 295/4885PHGDH 1142/4885LMNA 3461/4885

“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.