SCHEMBL6621024

SCHEMBL6621024

C[C@@H]1C[C@H](C)CN(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCN(C(=O)O)CC4)cc3)CC2)C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.67
MMP2 P08253 18/20 0.67
MMP3 P08254 2/20 0.55
MMP8 P22894 1/20 0.55

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
SCHEMBL10021359 0.90 MMP13 (0.82) MMP13MMP2MMP3
SCHEMBL6621824 0.89 MMP13 (0.72) MMP13MMP2MMP3MMP8
SCHEMBL6683494 0.89 MMP13 (0.72) MMP13MMP2MMP3MMP8
SCHEMBL6623823 0.89 MMP13 (0.67) MMP13MMP2MMP3MMP8
SCHEMBL6622381 0.88 MMP13 (0.61) MMP13MMP2MMP3MMP8
SCHEMBL6690639 0.88 MMP13 (0.61) MMP13MMP2MMP3MMP8
SCHEMBL6687895 0.86 MMP13 (0.84) MMP13MMP2MMP3MMP8
SCHEMBL6621337 0.75 MMP13 (0.54) MMP13MMP2MMP3
SCHEMBL6685968 0.74 MMP13 (0.73) MMP13MMP2MMP3MMP8
SCHEMBL5919194 0.71 MMP2 (1.00) MMP13MMP2MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472244-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2004-11-03 EP disclosed
WO-2003045944-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-06-05 WO disclosed