SCHEMBL6811229

SCHEMBL6811229

Cc1cc(Br)cc(C(=O)O)c1NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.58
FFAR4 Q5NUL3 2/20 0.57
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GPR27 Q9NS67 1/20 0.46
KDM1A O60341 1/20 0.46
MEN1 O00255 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
ACLY P53396 1/20 0.45

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
SCHEMBL7447739 0.85 FFAR4 (0.60) METAP2FFAR4TSHRALDH1A1MEN1
SCHEMBL6714065 0.75 METAP2 (0.66) METAP2FFAR4ALDH1A1GPR27KDM1A
SCHEMBL6810684 0.74 FFAR4 (0.60) FFAR4TSHRALDH1A1MEN1KMT2A
SCHEMBL5101148 0.74 FFAR4 (0.69) METAP2FFAR4KDM4ETSHRALDH1A1
SCHEMBL10116990 0.73 METAP2 (1.00) METAP2FFAR4ALDH1A1HSD17B10MEN1
SCHEMBL2003387 0.73 METAP2 (0.77) METAP2KDM4EKDM1AKMT2A
SCHEMBL762107 0.72 AKR1C3 (0.44) METAP2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL6819171 0.71 METAP2 (0.40) METAP2TSHRALDH1A1HSD17B10KMT2A
SCHEMBL23200296 0.70 MCL1 (0.66) METAP2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL19083016 0.70 METAP2 (1.00) METAP2KDM1A

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
EP-1144369-B1 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-6762178-B2 FOR USE IN TREATMENT OF DISEASE CONDITIONS MEDIATED BY TNF-ALPHA, SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE, DEGENERATIVE CARTILAGE LOSS WYETH HOLDINGS CORPORATION 2004-07-13 US disclosed
CN-1376144-A Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors AMERICAN CYANAMID CO (US) 2002-10-23 CN disclosed
US-20010056088-A1 Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors AMERICAN CYANAMID COMPANY (US) 2001-12-27 US disclosed
EP-0938471-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID CO (US) 2001-12-12 EP disclosed
EP-1144369-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
US-6277885-B1 INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY 2001-08-21 US disclosed
WO-2000044710-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
CN-1240429-A Preparation and use of ortho-sulfonamido aryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID CO (US) 2000-01-05 CN disclosed
EP-0938471-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 1999-09-01 EP disclosed
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed
WO-1998016503-A2 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 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 (1 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-20010056088-A1 Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors PTDSS1, SAT1, TNF METAP2 2495/4885FFAR4 1212/4885KDM4E 3420/4885

“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.