SCHEMBL6657415

SCHEMBL6657415

CC#CCOc1ccc(SC(C)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.63
MMP9 P14780 11/20 0.53
MMP13 P45452 11/20 0.53
MMP1 P03956 9/20 0.49
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ADAM10 O14672 1/20 0.44
MMP7 P09237 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
PPARA Q07869 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
SCHEMBL6662240 0.86 ADAM17 (0.75) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL4151877 0.85 ADAM17 (0.77) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL6655813 0.85 ADAM17 (0.59) ADAM17MMP9MMP13MMP1ALDH1A1
SCHEMBL6657581 0.81 ADAM17 (0.78) ADAM17MMP9MMP13MMP1ALDH1A1
SCHEMBL6658123 0.81 ADAM17 (0.64) ADAM17MMP9MMP13MMP1
SCHEMBL6659002 0.79 ADAM17 (0.77) ADAM17MMP9MMP13MMP1ALDH1A1
SCHEMBL6657088 0.79 ADAM17 (0.65) ADAM17MMP9MMP13MMP1ALDH1A1
SCHEMBL6783233 0.78 ADAM17 (0.67) ADAM17MMP9MMP13MMP1MMP14
SCHEMBL6660774 0.78 ADAM17 (0.64) ADAM17MMP9MMP13MMP1MEN1
SCHEMBL6655276 0.78 ADAM17 (1.00) ADAM17MMP9MMP13MMP1ADAM10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 7/4885MMP9 14/4885MMP13 12/4885

“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.