SCHEMBL528641

SCHEMBL528641

NS(=O)(=O)c1cccc(Br)c1Br

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.67
CA1 P00915 10/20 0.67
CA6 P23280 4/20 0.67
CA4 P22748 3/20 0.67
CA9 Q16790 10/20 0.48
CA12 O43570 5/20 0.48
CA5A P35218 5/20 0.48
CA7 P43166 4/20 0.48
CA5B Q9Y2D0 3/20 0.48
CA14 Q9ULX7 2/20 0.48
CYP2C9 P11712 1/20 0.48
CDK2 P24941 1/20 0.47
PLCG1 P19174 1/20 0.45
MAPK1 P28482 1/20 0.42
STAT3 P40763 1/20 0.41
LDHA P00338 1/20 0.38
CA3 P07451 1/20 0.37
PLA2G7 Q13093 1/20 0.37
CA13 Q8N1Q1 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
SCHEMBL10605529 0.83 CA2 (0.50) CA2CA1CA6CA4CA9
SCHEMBL6739359 0.82 CA2 (0.61) CA2CA1CA6CA4CA9
SCHEMBL30630011 0.80 CA2 (1.00) CA2CA1CA6CA4CA9
SCHEMBL344271 0.80 CA2 (1.00) CA2CA1CA6CA4CA9
SCHEMBL841244 0.79 CA2 (0.46) CA2CA1CA6CA4CA9
SCHEMBL6683006 0.79 CA2 (0.64) CA2CA1CA6CA4CA9
SCHEMBL29412674 0.79 CA1 (0.46) CA2CA1CA6CA4CA9
SCHEMBL10638256 0.79 CA1 (0.46) CA2CA1CA6CA4CA9
SCHEMBL6740814 0.79 CA2 (0.47) CA2CA1CA6CA4CA9
SCHEMBL10415325 0.78 CA2 (0.95) CA2CA1CA6CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 WO disclosed
EP-3302773-A1 SOLVENT COMPOSITIONS FOR USE AS HEPTANE REPLACEMENTS TBF Environmental Technology Inc. (CA) 2018-04-11 EP disclosed
EP-3154984-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2017-04-19 EP disclosed
WO-2016193866-A1 SOLVENT COMPOSITIONS FOR USE AS HEPTANE REPLACEMENTS TBF ENVIRONMENTAL TECHNOLOGY INC. (CA) 2016-12-08 WO disclosed
WO-2015191437-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2015-12-17 WO disclosed
EP-2598484-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK Pharmaceuticals d.d. (SI) 2013-06-05 EP disclosed
WO-2012013325-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-02-02 WO disclosed
CN-100448869-C Anilinopyrazole derivatives for the treatment of diabetes BAYER PHARMACEUTICALS CORP (US) 2009-01-07 CN disclosed
EP-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2004072156-A2 SURFACE PREPARATION OF RUBBER FOR COATINGS OR BONDING LORD CORPORATION (US) 2004-08-26 WO disclosed
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION 2004-08-12 US disclosed
WO-2004050650-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-17 WO disclosed
WO-2004050651-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-17 WO disclosed
US-6689770-B2 AN INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
EP-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP disclosed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US disclosed
US-6399644-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2002-06-04 US disclosed
EP-1175419-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2002-01-30 EP disclosed
WO-2000059902-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors F12, F11, TFPI CA2 2573/4885CA1 2249/4885CA6 1517/4885
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 CA2 3329/4885CA1 4834/4885CA6 4178/4885

“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.