SCHEMBL5205172

SCHEMBL5205172

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(F)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.49
PTGS1 P23219 4/20 0.49
CHRNA7 P36544 1/20 0.42
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 2/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL5207661 0.91 KIF11 (0.49) PTGS2PTGS1CHRNA7CA2CA9
SCHEMBL5865304 0.91 PTGS1 (0.46) PTGS2PTGS1CHRNA7CA2CA9
SCHEMBL5207409 0.91 PTGS2 (0.49) PTGS2PTGS1CHRNA7CA2CA9
SCHEMBL5205534 0.90 PTGS2 (0.44) PTGS2PTGS1CHRNA7CA2CA9
SCHEMBL5239915 0.90 PTGS2 (0.50) PTGS2PTGS1CHRNA7CA2CA9
SCHEMBL5207586 0.90 PTGS2 (0.47) PTGS2PTGS1CHRNA7CA2CA9
SCHEMBL5204581 0.89 PTGS2 (0.48) PTGS2PTGS1CHRNA7
SCHEMBL5865490 0.88 PTGS2 (0.46) PTGS2PTGS1CHRNA7CA2CA9
SCHEMBL5272064 0.88 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL5865569 0.88 PTGS2 (0.52) PTGS2PTGS1CHRNA7CA2CA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1688554-A 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2005-10-26 CN claimed
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
CN-101012203-B 1,2,4-triazol derivatives, method for preparing the same CJ CORP 2011-02-16 CN disclosed
CN-100357277-C 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2007-12-26 CN disclosed
CN-101012203-A 1,2,4-triazol derivatives, method for preparing the same CJ CORP (KR) 2007-08-08 CN disclosed
EP-1539718-A4 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORP (KR) 2007-08-01 EP disclosed
US-7019144-B2 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2006-03-28 US disclosed
CN-1688554-A 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2005-10-26 CN disclosed
EP-1539718-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-06-15 EP disclosed
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2005-04-07 US 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
WO-2004014878-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-02-19 WO 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 (3 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-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CYP4B1, CYP3A5, CYP7A1 PTGS2 1769/4885PTGS1 523/4885CHRNA7 3826/4885
US-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SULT2A1, SULT1A1, SULT1E1 PTGS2 201/4885PTGS1 51/4885CHRNA7 1580/4885
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SULT2A1, SULT1A1, SULT1E1 PTGS2 201/4885PTGS1 51/4885CHRNA7 1580/4885

“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.