SCHEMBL6661137

SCHEMBL6661137

CC#CCOc1ccc(SCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
ADAM17 P78536 13/20 0.52
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
HSD17B10 Q99714 1/20 0.48
FFAR1 O14842 2/20 0.47
MMP9 P14780 7/20 0.46
MMP13 P45452 7/20 0.46
GAA P10253 1/20 0.45
MMP1 P03956 5/20 0.45
CTSB P07858 1/20 0.44
ELANE P08246 1/20 0.44
DUSP3 P51452 1/20 0.44
MMP2 P08253 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL6267555 0.83 ADAM17 (0.48) ALDH1A1ADAM17HSD17B10MMP9MMP13
SCHEMBL6661575 0.79 ALOX15 (0.55) ALDH1A1ADAM17FFAR1MMP9MMP13
SCHEMBL6662235 0.77 ADAM17 (0.48) ALDH1A1ADAM17MMP9MMP13MMP1
SCHEMBL7319705 0.77 ADAM17 (0.48) ADAM17PPARGPPARAMMP9MMP13
SCHEMBL6270069 0.77 ADAM17 (0.51) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6657415 0.77 ADAM17 (0.63) ALDH1A1ADAM17PPARAMMP9MMP13
SCHEMBL11986378 0.76 ALDH1A1 (0.64) ALDH1A1PPARGPPARDPPARAFFAR1
SCHEMBL6657563 0.76 L3MBTL1 (0.62) ADAM17FFAR1MMP9MMP13MMP1
SCHEMBL17285623 0.76 ALDH1A1 (0.64) ALDH1A1PPARGPPARDPPARAHSD17B10
SCHEMBL15274643 0.76 ADAM17 (0.58) 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 4 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

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 ALDH1A1 443/4885ADAM17 7/4885PPARG 2862/4885

“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.