SCHEMBL6501463

SCHEMBL6501463

NS(=O)(=O)c1cccc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
ALDH1A1 P00352 2/20 0.38
NFE2L2 Q16236 5/20 0.38
CA9 Q16790 6/20 0.37
CA12 O43570 4/20 0.37
CA14 Q9ULX7 4/20 0.37
CA4 P22748 3/20 0.37
CA6 P23280 3/20 0.37
CA5A P35218 3/20 0.37
CA7 P43166 3/20 0.37
CA13 Q8N1Q1 3/20 0.37
CA3 P07451 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
MAPK1 P28482 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
PLA2G7 Q13093 1/20 0.34
CDK2 P24941 1/20 0.33

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
SCHEMBL989588 0.80 CYP3A4 (0.50) CYP3A4TSHRALDH1A1NFE2L2SLC40A1
SCHEMBL17647899 0.80 NOS3 (0.43) TSHRCA1CA2CA9CA12
SCHEMBL9179403 0.78 TSHR (0.43) CYP3A4TSHRALDH1A1NFE2L2
SCHEMBL845336 0.78 CYP3A4 (0.43) CYP3A4TSHRALDH1A1NFE2L2
Ammonia Solution, Strong SCHEMBL28206444 0.78 NOS3 (0.41) TSHRCA1CA2CA9CA12
SCHEMBL9174593 0.77 NFE2L2 (0.44) CYP3A4TSHRALDH1A1NFE2L2SLC40A1
SCHEMBL9176169 0.77 TSHR (0.42) CYP3A4TSHRALDH1A1NFE2L2
Potassium Ion SCHEMBL9175274 0.77 NFE2L2 (0.44) CYP3A4TSHRALDH1A1NFE2L2SLC40A1
SCHEMBL9174597 0.77 TSHR (0.42) CYP3A4TSHRALDH1A1NFE2L2
Lithium Ion SCHEMBL9176164 0.77 NFE2L2 (0.44) CYP3A4TSHRALDH1A1NFE2L2SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 US disclosed
CN-1550496-A Acetylenic alpha-amino acid-based sulfamide hydroxamic acid TACE inhibitors ���Ͽع����޹�˾ 2004-12-01 CN disclosed
US-6812227-B2 SULFUR COMPOUNDS SUCH AS 2-((4-BUT-2-YNYLOXY-BENZENESULFONYL)-METHYL-AMINO)-N-HYDROXY-3-METHYL -BUTYRAMIDE, USED AS TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) INHIBITORS, FOR PROPHYLAXIS OF RHEUMATIC DISEASES, SEPSIS OR INFLAMMATION WYETH HOLDINGS CORPORATION 2004-11-02 US disclosed
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed
US-6716833-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE AND DEGENERATIVE CARTILAGE LOSS. WYETH HOLDINGS CORPORATION 2004-04-06 US disclosed
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 US disclosed
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2003-11-13 US disclosed
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 US disclosed
CN-1345308-A Acetylenic alpha-amino acid based sulfonamide hydroxamic acid TACE inhibitors AMERICAN CYANAMID CO (US) 2002-04-17 CN disclosed
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
US-6225311-B1 Acetylenic α-amino acid-based sulfonamide hydroxamic acid tace inhibitors AMERICAN CYANAMID COMPANY 2001-05-01 US disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 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-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 CYP3A4 3340/4885TSHR 3457/4885CA1 53/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 CYP3A4 3340/4885TSHR 3457/4885CA1 53/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 CYP3A4 3340/4885TSHR 3457/4885CA1 53/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 CYP3A4 3646/4885TSHR 3185/4885CA1 65/4885

“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.