SCHEMBL5865496

SCHEMBL5865496

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
PTGS2 P35354 14/20 0.43
PTGS1 P23219 9/20 0.43
CYP2C9 P11712 2/20 0.42
PDPK1 O15530 5/20 0.42
PTGES O14684 1/20 0.41
HDAC3 O15379 1/20 0.41
PDE5A O76074 1/20 0.41
ABCB11 O95342 1/20 0.41
MT-CO2 P00403 1/20 0.41
LMNA P02545 1/20 0.41
CA3 P07451 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL6959431 0.99 CA1 (0.47) CA1CA2CA12CA9PTGS2
SCHEMBL6969710 0.96 PTGS2 (0.44) CA1CA2CA12CA9PTGS2
SCHEMBL6967100 0.88 PTGS2 (0.43) CA1CA2CA12CA9PTGS2
SCHEMBL5865483 0.88 CYP1A2 (0.50) PTGS2PTGS1CYP2C9CYP2D6
SCHEMBL6957230 0.87 CA1 (0.44) CA1CA2CA12CA9PTGS2
SCHEMBL6957521 0.86 PDPK1 (0.42) CA1CA2CA12CA9PTGS2
SCHEMBL6962612 0.84 PTGS2 (0.40) CA1CA2CA12CA9PTGS2
SCHEMBL5865536 0.84 CA1 (0.39) CA1CA2CA12CA9CA4
SCHEMBL27630218 0.84 CA1 (0.34) CA1CA2CA12CA9PTGS2
SCHEMBL6958188 0.82 PTGS2 (0.41) CA1CA2CA12CA9PTGS2

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
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
US-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-07-03 US claimed
EP-1273576-A1 Sulfonyl aryl triazoles as anti-inflammatory/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
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
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-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-07-03 US disclosed
EP-1273576-A1 Sulfonyl aryl triazoles as anti-inflammatory/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-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SULT2A1, AHR, SULT1A1 CA1 493/4885CA2 1358/4885CA12 4161/4885
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CYP4B1, CYP3A5, CYP7A1 CA1 1852/4885CA2 993/4885CA12 3729/4885

“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.