SCHEMBL313011

SCHEMBL313011

N#Cc1ccc(S(N)(=O)=O)s1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.46
CA1 P00915 10/20 0.46
CA9 Q16790 9/20 0.46
CA12 O43570 8/20 0.46
CA5A P35218 2/20 0.37
CA4 P22748 2/20 0.37
CA7 P43166 2/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL25211478 0.79 ALDH1A1 (0.33) CA2CA1CA9CA12
SCHEMBL31560168 0.79 PSMB8 (0.32) CA2CA1CA9CA12
SCHEMBL15193253 0.79 TSHR (0.33) CA2CA1CA9CA12
SCHEMBL1348016 0.79 CA2 (0.43) CA2CA1CA9CA12CA4
SCHEMBL6326036 0.76 PSIP1 (0.38) CA2CA1CA9CA12
SCHEMBL19259882 0.75 LOX (0.53)
SCHEMBL19259785 0.73 LOX (0.54)
SCHEMBL19259827 0.72 LOX (0.56) CA2CA1CA9CA5ACA4
SCHEMBL19259779 0.72 LOX (0.55)
SCHEMBL5804960 0.72 CA2 (0.53) CA2CA1CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516837-A Sulfonamide derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 CN claimed
US-8349844-B2 Substituted pyrazolo [1,5-A] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GATTI MCARTHUR SILVIA (CH) 2012-02-16 US disclosed
US-8093263-B2 Substituted pyrazolo [1,5-a] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
CN-101273040-B Diazolylpyrazolopyrimidines as MGLUR2 antagonists HOFFMANN LA ROCHE 2011-11-09 CN disclosed
US-7964633-B2 such as N,N'-[hexane-1,6-diylbis(iminocarbonyl)]bis(3-chlorobenzenesulfonamide), used as Fructose-1,6-bisphosphatase inhibitors; metabolic disorders such as diabetes HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
EP-2081889-B1 SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
CN-1863789-B Substituted isoquinolinones PORTOLA PHARM INC 2010-06-09 CN disclosed
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 EP disclosed
CN-101516837-A Sulfonamide derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 CN disclosed
CN-1863789-A Substituted isoquinolinones PORTOLA PHARM INC (US) 2006-11-15 CN disclosed
US-20060223871-A1 Thiophene-and thiazolesulfonamides as antineoplastic agents GROSSMAN CORA S 2006-10-05 US disclosed
EP-1442030-B1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS LILLY CO ELI (US) 2006-08-30 EP disclosed
US-7084170-B2 Thiophene-amd thiazolesulfonamides as antineoplastic agents ELI LILLY AND COMPANY (US) 2006-08-01 US disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed
US-20040198784-A1 Thiophene-amd thiazolesulfonamides as antineoplastic agents GROSSMAN CORA SUE (US) 2004-10-07 US disclosed
EP-1442030-A1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS ELI LILLY AND COMPANY (US) 2004-08-04 EP disclosed
WO-2003035629-A1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS ELI LILLY AND COMPANY (US) 2003-05-01 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 (4 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R CA2 4801/4885CA1 4876/4885CA9 4877/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 CA2 2665/4885CA1 2482/4885CA9 4684/4885
US-20060223871-A1 Thiophene-and thiazolesulfonamides as antineoplastic agents TPMT, TST, MGMT CA2 1394/4885CA1 1002/4885CA9 356/4885
US-20040198784-A1 Thiophene-amd thiazolesulfonamides as antineoplastic agents ALDH1A2, MGMT, NR2E3 CA2 2965/4885CA1 4169/4885CA9 1059/4885

“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.