SCHEMBL7345123

SCHEMBL7345123

COC(=O)CC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 15/20 0.64
MMP13 P45452 13/20 0.64
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MMP2 P08253 2/20 0.48
MMP14 P50281 2/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ADAMTS4 O75173 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
SCHEMBL7351526 0.89 MMP12 (0.62) MMP12MMP13LMNAMAPTHTT
SCHEMBL28747284 0.89 MMP12 (0.66) MMP12MMP13HTTCYP1A2CYP2C19
SCHEMBL6342584 0.89 MMP12 (0.66) MMP12MMP13HTTCYP1A2CYP2C19
SCHEMBL7349157 0.88 MMP12 (0.60) MMP12MMP13LMNAMAPTHTT
SCHEMBL6413671 0.86 MMP12 (0.69) MMP12MMP13LMNAMAPTHTT
SCHEMBL6414491 0.85 MMP12 (0.67) MMP12MMP13HTTCYP1A2CYP2C19
SCHEMBL4424736 0.84 MMP13 (0.70) MMP12MMP13MEN1KMT2AKDM4E
SCHEMBL27540150 0.84 MMP13 (0.70) MMP12MMP13MEN1KMT2AKDM4E
SCHEMBL6419152 0.84 MMP12 (0.66) MMP12MMP13LMNAMAPTHTT
SCHEMBL4433720 0.84 MMP12 (0.66) MMP12MMP13LMNAMAPTHTT

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-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP claimed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO claimed
US-6294674-B1 FOR THERAPY OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, RESTENOSIS, AORTIC ANEURISM, HEART FAILURE, PERIODONTAL DISEASE, CORNEAL ULCERATION, BURNS, DECUBITAL ULCERS, CHRONIC ULCERS OR WOUNDS, CANCER METASTASIS WARNER-LAMBERT COMPANY 2001-09-25 US disclosed
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP disclosed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed