SCHEMBL6891058

SCHEMBL6891058

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cocn3)cc2)cc1F.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cscn3)c(Cl)c2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.53
PDPK1 O15530 3/20 0.47
PTGS1 P23219 6/20 0.47

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
SCHEMBL6511577 0.92 PTGS2 (0.58) PTGS2PDPK1PTGS1
SCHEMBL6513503 0.87 PTGS2 (0.68) PTGS2PDPK1PTGS1
SCHEMBL6516374 0.86 PTGS2 (0.56) PTGS2PDPK1PTGS1
SCHEMBL6511302 0.85 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6516286 0.85 PTGS2 (0.61) PTGS2PDPK1PTGS1
SCHEMBL6516195 0.85 PTGS2 (0.68) PTGS2PDPK1PTGS1
SCHEMBL6889301 0.85 PTGS2 (0.48) PTGS2PDPK1PTGS1
SCHEMBL6512823 0.84 PTGS2 (0.51) PTGS2PDPK1PTGS1
SCHEMBL6517851 0.84 PTGS2 (0.60) PTGS2PDPK1PTGS1
SCHEMBL6513176 0.83 PTGS2 (0.61) PTGS2PDPK1PTGS1

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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 US claimed

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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS2 29/4885PDPK1 3634/4885PTGS1 2/4885

“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.