SCHEMBL7325352

SCHEMBL7325352

CC#CCOc1ccc(S(=O)(=O)C(C(=O)O)C2CCNCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.79
MMP13 P45452 8/20 0.63
MMP9 P14780 4/20 0.60
MMP1 P03956 4/20 0.53
MMP2 P08253 2/20 0.52
MMP14 P50281 1/20 0.46

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
SCHEMBL3938344 0.89 ADAM17 (1.00) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6657607 0.87 ADAM17 (0.79) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6655838 0.87 ADAM17 (0.79) ADAM17MMP13MMP9MMP1
SCHEMBL6782213 0.84 ADAM17 (0.82) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6786664 0.81 ADAM17 (0.83) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6659308 0.80 ADAM17 (0.64) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6656672 0.80 ADAM17 (0.60) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6785659 0.78 ADAM17 (0.73) ADAM17MMP13MMP9MMP1
SCHEMBL6659884 0.77 ADAM17 (1.00) ADAM17MMP13MMP9MMP1MMP14
SCHEMBL3949526 0.76 ADAM17 (1.00) ADAM17MMP13MMP9MMP1MMP14

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-1230243-A1 POYCYLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2002-08-14 EP 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-2001034610-A1 POLYCYCLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2001-05-17 WO disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed