SCHEMBL6164790

SCHEMBL6164790

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2F)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.51
PTGS1 P23219 5/20 0.51
KEAP1 Q14145 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38

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
SCHEMBL5202241 0.89 PTGS2 (0.40) PTGS2PTGS1KEAP1
SCHEMBL6168958 0.89 PTGS2 (0.51) PTGS2
SCHEMBL5207362 0.87 PTGS2 (0.39) PTGS2PTGS1KEAP1
SCHEMBL5205140 0.87 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL5203292 0.87 PTGS2 (0.40) PTGS2PTGS1CA2CA4
SCHEMBL5204508 0.86 KEAP1 (0.45) PTGS2PTGS1KEAP1CA12CA1
SCHEMBL5201642 0.85 PTGS2 (0.52) PTGS2PTGS1CA12CA1CA2
SCHEMBL5204581 0.85 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6167427 0.82 PTGS2 (0.53) PTGS2PTGS1CA12CA1CA2
SCHEMBL5205172 0.82 PTGS2 (0.49) PTGS2PTGS1CA12CA1CA2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1273580-B1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents PFIZER PROD INC (US) 2005-06-15 EP claimed
US-6875779-B2 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER INC. (US) 2005-04-05 US claimed
US-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2004-10-07 US claimed
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER PRODUCTS, INC. 2003-06-26 US claimed
EP-1273580-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP claimed
EP-1273580-B1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-6875779-B2 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER INC. (US) 2005-04-05 US disclosed
US-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2004-10-07 US disclosed
US-6753332-B2 CYCLOOXYGENASE INHIBITORS PFIZER, INC. 2004-06-22 US disclosed
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER PRODUCTS, INC. 2003-06-26 US disclosed
EP-1273580-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP 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 (2 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-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SULT2A1, SULT1A1, SULT1E1 PTGS2 201/4885PTGS1 51/4885KEAP1 739/4885
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SULT2A1, SULT1A1, SULT1E1 PTGS2 201/4885PTGS1 51/4885KEAP1 739/4885

“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.