SCHEMBL6513330

SCHEMBL6513330

NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(-c3nccs3)cc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.53
PTGS1 P23219 16/20 0.53

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
SCHEMBL6517605 0.82 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6513288 0.73 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6511366 0.72 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5594600 0.72 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5594125 0.71 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL6516190 0.71 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5594637 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5593984 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594391 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594727 0.70 PTGS2 (0.76) PTGS2PTGS1

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-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US disclosed
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS2 29/4885PTGS1 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.