SCHEMBL6756509

SCHEMBL6756509

CC#CCOc1ccc(S(=O)(=O)NC(C)(C(=O)O)c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.52
MMP9 P14780 6/20 0.52
MMP13 P45452 6/20 0.52
ADAM17 P78536 2/20 0.52
HRH3 Q9Y5N1 9/20 0.50
KCNH2 Q12809 2/20 0.50
PSMB1 P20618 2/20 0.47
PSMB5 P28074 2/20 0.47
PSMB2 P49721 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 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
SCHEMBL6625903 0.85 ADAM17 (0.58) MMP1MMP9MMP13ADAM17
SCHEMBL6502723 0.85 ADAM17 (0.58) MMP1MMP9MMP13ADAM17
SCHEMBL6838293 0.81 HRH3 (0.49) MMP1MMP9MMP13HRH3KCNH2
SCHEMBL6501698 0.80 CA12 (0.55) MMP1MMP9MMP13ADAM17
SCHEMBL6499387 0.79 ADAM17 (0.59) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL6658476 0.79 MMP1 (0.65) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL7236556 0.77 HRH3 (0.51) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL3941876 0.76 ADAM17 (0.73) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL2897169 0.75 PSMB1 (0.60) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL6657950 0.75 MMP13 (0.80) MMP1MMP9MMP13ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2003-11-13 US 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-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MMP1 130/4885MMP9 137/4885MMP13 114/4885

“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.