SCHEMBL5674853

SCHEMBL5674853

COc1ccc(S(=O)(=O)NC2(OC=O)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MMP1 P03956 2/20 0.46
MMP13 P45452 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
PKM P14618 2/20 0.43
HTT P42858 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL5675309 0.82 GAA (0.42) ALDH1A1MMP1MMP13CA1CA2
SCHEMBL5674381 0.82 CA9 (0.42) ALDH1A1MMP1MMP13CA2PKM
SCHEMBL6757533 0.80 ADAM17 (0.48) MMP1MMP13MMP2MMP9MMP8
SCHEMBL5674732 0.80 CA2 (0.45) ALDH1A1MMP1MMP13CA1CA2
SCHEMBL5674506 0.79 CA1 (0.50) ALDH1A1MMP1MMP13CA1CA2
SCHEMBL6755512 0.79 ADAM17 (0.49) MMP1MMP13MMP2MMP9MMP8
SCHEMBL5674362 0.75 USP2 (0.56) ALDH1A1MMP1MMP13CA1CA2
SCHEMBL643982 0.75 MMP1 (0.55) ALDH1A1MMP1MMP13CA1CA2
SCHEMBL6964392 0.73 MMP1 (0.56) ALDH1A1MMP1MMP13CA1CA2
SCHEMBL5674193 0.73 SLC40A1 (0.40) ALDH1A1MMP1MMP13HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616859-B1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP claimed
EP-1616859-A1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU CORPORATION (JP) 2006-01-18 EP claimed
EP-1616859-B1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP disclosed
EP-1619189-B1 N-(3-acyl-2-hydroxyalkyl) cycloalkyl amide derivatives SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP disclosed
EP-1008592-B1 Cyclic amide derivatives which inhibit cathepsin K SEIKAGAKU KOGYO CO LTD (JP) 2006-02-01 EP disclosed
EP-1619189-A1 N-(3-acyl-2-hydroxyalkyl) cycloalkyl amide derivatives SEIKAGAKU CORPORATION (JP) 2006-01-25 EP disclosed
EP-1616867-A1 Hydroxycarboxylic acid derivatives SEIKAGAKU CORPORATION (JP) 2006-01-18 EP disclosed
EP-1616859-A1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU CORPORATION (JP) 2006-01-18 EP disclosed
US-6117870-A USEFUL AS THERAPEUTIC DRUG OR PREVENTIVE DRUG OF ARTHRITIS AND RHEUMATISM DUE TO INCREASE OF BONE RESORPTION IN ADDITION TO BONE DISEASES SUCH AS OSTEOPOROSIS, HYPERCALCEMIA, AND PAGET'S DISEASE FUJIREBIO KABUSHIKI KAISHA (JP) 2000-09-12 US disclosed
EP-1008592-A2 Cyclic amide derivatives which inhibit cathepsin K Fujirebio Kabushiki Kaisha (JP) 2000-06-14 EP disclosed