SCHEMBL7315949

SCHEMBL7315949

CC#CCOc1ccc(SC(C(=O)OCC)C2CCCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.74
MMP13 P45452 5/20 0.74
MMP9 P14780 3/20 0.74
MMP2 P08253 1/20 0.38
TSHR P16473 1/20 0.38
MMP1 P03956 1/20 0.38

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
SCHEMBL6658737 0.90 ADAM17 (0.78) ADAM17MMP13MMP9MMP2MMP1
SCHEMBL3937230 0.85 ADAM17 (1.00) ADAM17MMP13MMP9MMP1
SCHEMBL6655813 0.79 ADAM17 (0.59) ADAM17MMP13MMP9MMP1
SCHEMBL7324015 0.77 ADAM17 (0.70) ADAM17MMP13MMP9MMP1
SCHEMBL7324053 0.74 ADAM17 (0.72) ADAM17MMP13MMP9MMP1
SCHEMBL7326202 0.72 ADAM17 (0.59) ADAM17MMP13MMP9MMP1
SCHEMBL6657452 0.72 ADAM17 (0.75) ADAM17MMP13MMP9MMP1
SCHEMBL6787647 0.72 ADAM17 (0.51) ADAM17MMP13MMP9MMP2MMP1
SCHEMBL6267555 0.70 ADAM17 (0.48) ADAM17MMP13MMP9MMP2TSHR
SCHEMBL9789830 0.70 ADAM17 (0.51) ADAM17MMP13MMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 7/4885MMP13 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.