SCHEMBL6498571

SCHEMBL6498571

CN1CCN(S(=O)(=O)c2ccc(F)cc2)C(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.55
MMP3 P08254 2/20 0.55
MMP7 P09237 2/20 0.55
MMP9 P14780 2/20 0.55
MMP13 P45452 2/20 0.55
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.45
GLA P06280 1/20 0.45
TRPA1 O75762 1/20 0.44

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
SCHEMBL6628734 0.85 LMNA (0.51) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL6507941 0.84 ALDH1A1 (0.64) MMP1MMP3MMP7MMP9MMP13
SCHEMBL6281943 0.83 MMP3 (0.70) MMP1MMP3MMP7MMP9MMP13
SCHEMBL6281952 0.83 MMP3 (0.70) MMP1MMP3MMP7MMP9MMP13
SCHEMBL16635434 0.83 ALDH1A1 (0.59) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL15832928 0.83 ALDH1A1 (0.59) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL893545 0.81 ALDH1A1 (0.66) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL893543 0.81 ALDH1A1 (0.66) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL6283507 0.80 MMP1 (0.60) MMP1MMP3MMP7MMP9MMP13
SCHEMBL6962263 0.80 ALDH1A1 (0.72) ALDH1A1HTTMAPTTDP1LMNA

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 11 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
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 MMP1 130/4885MMP3 177/4885MMP7 343/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MMP1 130/4885MMP3 177/4885MMP7 343/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MMP1 130/4885MMP3 177/4885MMP7 343/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 MMP1 203/4885MMP3 207/4885MMP7 346/4885

“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.