SCHEMBL3530381

SCHEMBL3530381

NS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.46
CA1 P00915 15/20 0.46
CA9 Q16790 11/20 0.46
CA3 P07451 3/20 0.44
CA12 O43570 4/20 0.44
CA7 P43166 4/20 0.44
CA13 Q8N1Q1 2/20 0.44
CA4 P22748 4/20 0.43
CA6 P23280 3/20 0.43
CA5A P35218 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL2536209 0.81 CYP3A4 (0.39) CA2CA1CA9CA3CA12
SCHEMBL1497205 0.80 CA1 (0.59) CA2CA1CA9CA3CA12
SCHEMBL20421466 0.79 CA2 (0.50) CA2CA1CA9CA3CA12
SCHEMBL283890 0.78 CYP3A4 (0.56) CA2CA1CA9CA3CA12
SCHEMBL3110388 0.78 CA2 (0.56) CA2CA1CA9CA3CA12
SCHEMBL3918873 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10
SCHEMBL2535181 0.74 ALDH1A1 (0.42) CA2CA9CA12CA4ALDH1A1
SCHEMBL671650 0.72 KDM4E (0.48) CA2CA1CA4CYP2C19ALDH1A1
SCHEMBL31487920 0.72 CA2 (0.68) CA2CA1CA9CA3CA12
SCHEMBL30739727 0.72 KDM4E (0.48) CA2CA1CA4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725467-B2 Fluorinated benzenesulfonamides as inhibitors of carbonic anhydrase VILNIUS UNIVERSITY (LT) 2017-08-08 US disclosed
US-20150266900-A1 FLUORINATED BENZENESULFONAMIDES AS INHIBITORS OF CARBONIC ANHYDRASE VILNIUS UNIVERSITY (LT) 2015-09-24 US disclosed
EP-2914583-A1 FLUORINATED BENZENESULFONAMIDES AS INHIBITORS OF CARBONIC ANHYDRASE Vilnius University (LT) 2015-09-09 EP disclosed
WO-2014062044-A1 FLUORINATED BENZENESULFONAMIDES AS INHIBITORS OF CARBONIC ANHYDRASE VILNIUS UNIVERSITY (LT) 2014-04-24 WO disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO 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-20150266900-A1 FLUORINATED BENZENESULFONAMIDES AS INHIBITORS OF CARBONIC ANHYDRASE CA9, CA7, CA2 CA2 3/4885CA1 7/4885CA9 1/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 CA2 4267/4885CA1 4808/4885CA9 4661/4885

“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.