SCHEMBL4029661

SCHEMBL4029661

CC#CCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(C(C)C)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.77
ADAM17 P78536 14/20 0.77
MMP9 P14780 10/20 0.73
MMP1 P03956 8/20 0.73
MMP14 P50281 4/20 0.66
MMP2 P08253 4/20 0.66
MMP8 P22894 3/20 0.66
MMP3 P08254 2/20 0.66

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
SCHEMBL3948538 0.90 ADAM17 (0.77) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL6268582 0.89 ADAM17 (0.60) MMP13ADAM17MMP9MMP1MMP14
SCHEMBL6266622 0.87 ADAM17 (0.85) MMP13ADAM17MMP9MMP1MMP14
SCHEMBL3938823 0.85 MMP13 (0.78) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL3942616 0.85 ADAM17 (0.82) MMP13ADAM17MMP9MMP1MMP14
SCHEMBL6263585 0.85 ADAM17 (0.61) MMP13ADAM17MMP9MMP1MMP14
SCHEMBL4029689 0.85 ADAM17 (1.00) MMP13ADAM17MMP9MMP1
SCHEMBL3946118 0.84 ADAM17 (0.80) MMP13ADAM17MMP9MMP1MMP14
SCHEMBL6565589 0.84 MMP9 (1.00) MMP13ADAM17MMP9MMP1MMP14
SCHEMBL3941463 0.83 ADAM17 (0.73) MMP13ADAM17MMP9MMP1MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 EP claimed
US-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors AMERICAN CYANAMID COMPANY 2002-07-04 US claimed
US-6358980-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-03-19 US claimed
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 EP claimed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed
US-7488754-B2 Method for the treatment of polycystic kidney disease WYETH (US) 2009-02-10 US disclosed
EP-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 EP disclosed
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors WYETH 2004-11-18 US disclosed
US-6753337-B2 INHIBITORS OF TNF-ALPHA CONVERTING ENZYME; TREATMENT OF ARTHRITIS, INFLAMMATION, INFLAMMATORY BOWEL DISEASE ETC, WYETH HOLDINGS CORPORATION 2004-06-22 US disclosed
WO-2002083112-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION (US) 2002-10-24 WO disclosed
US-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors AMERICAN CYANAMID COMPANY 2002-07-04 US disclosed
US-6358980-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-03-19 US disclosed
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (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 (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-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors MMP17, MMP1, MMP9 MMP13 16/4885ADAM17 12/4885MMP9 3/4885
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors MMP17, MMP1, MMP9 MMP13 16/4885ADAM17 12/4885MMP9 3/4885

“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.