SCHEMBL6654293

SCHEMBL6654293

CC#CCOc1ccc(SC(C(=O)NO)c2cccc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.70
MMP13 P45452 12/20 0.53
MMP9 P14780 11/20 0.53
MMP1 P03956 9/20 0.48
ADAM10 O14672 1/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43

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
SCHEMBL6655717 0.89 ADAM17 (0.59) ADAM17MMP13MMP9MMP1
SCHEMBL6657126 0.86 ADAM17 (0.74) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL7349598 0.84 ADAM17 (0.48) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL7570417 0.83 ADAM17 (1.00) ADAM17MMP13MMP9MMP1
SCHEMBL6656639 0.83 ADAM17 (1.00) ADAM17MMP13MMP9MMP1
SCHEMBL3938844 0.82 ADAM17 (0.78) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL4195934 0.80 ADAM17 (0.83) ADAM17MMP13MMP9MMP1
SCHEMBL6656198 0.79 ADAM17 (0.49) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3941979 0.79 ADAM17 (0.71) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6658091 0.78 ADAM17 (0.78) ADAM17MMP13MMP9MMP1ADAM10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP claimed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 US claimed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP claimed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
WO-2002083112-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION (US) 2002-10-24 WO disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
EP-0554436-B1 GABA RECEPTOR MODULATORS EURO CELTIQUE SA (LU) 2000-07-05 EP disclosed
US-5591733-A TREATMENT OF ANXIETY, STRESS, INSOMNIA, SEIZURES, STEROIDS, ACTIVE AT GAMMA-AMINOBUTYRIC ACID RECEPTORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1997-01-07 US disclosed
US-5232917-A Tranquillizers; antianxiolytic agents; sedatives; antidepressants; anticonvulsants; neurotransmitters UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1993-08-03 US disclosed
WO-1993003732-A1 GABA RECEPTOR MODULATORS COCENSYS, INC. (US) 1993-03-04 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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 ADAM17 7/4885MMP13 12/4885MMP9 14/4885

“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.