SCHEMBL6662235

SCHEMBL6662235

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.48
MMP9 P14780 12/20 0.44
MMP13 P45452 12/20 0.44
MMP1 P03956 9/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 3/20 0.41
MMP14 P50281 1/20 0.41
MMP8 P22894 2/20 0.39
MMP7 P09237 1/20 0.39

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
SCHEMBL6656467 0.78 ADAM17 (0.48) ADAM17MMP9MMP13MMP1KDM4E
SCHEMBL727827 0.78 CA1 (0.43) MMP9KDM4EALDH1A1MMP2
SCHEMBL6661137 0.77 ALDH1A1 (0.58) ADAM17MMP9MMP13MMP1ALDH1A1
SCHEMBL6788057 0.76 ADAM17 (0.44) ADAM17MMP9MMP13MMP1KDM4E
SCHEMBL6661575 0.75 ALOX15 (0.55) ADAM17MMP9MMP13MMP1ALDH1A1
SCHEMBL6785300 0.74 ADAM17 (0.50) ADAM17MMP9MMP13MMP1ALDH1A1
SCHEMBL7324005 0.74 ADAM17 (0.44) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6785653 0.74 ADAM17 (0.49) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL7302773 0.73 ALDH1A1 (0.45) MMP1ALDH1A1
SCHEMBL6786027 0.73 ADAM17 (0.43) ADAM17MMP9MMP13MMP1MMP2

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 5 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 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.