SCHEMBL7674853

SCHEMBL7674853

COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
MMP9 P14780 6/20 0.42
MMP2 P08253 5/20 0.42
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
MMP8 P22894 2/20 0.39
KMT2A Q03164 1/20 0.39
MMP13 P45452 1/20 0.39
ADAMTS4 O75173 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL7673646 0.88 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9088936 0.87 MMP9 (0.44) SMN1; SMN2MMP9MMP2ALDH1A1TSHR
SCHEMBL9088931 0.87 MMP9 (0.44) SMN1; SMN2MMP9MMP2ALDH1A1TSHR
SCHEMBL7671455 0.87 ACLY (0.41) ALDH1A1KMT2AHPGDCA12CA1
SCHEMBL8451620 0.81 MMP2 (0.51) MMP9MMP2ALDH1A1TSHRMMP8
SCHEMBL7674846 0.81 MMP9 (0.55) SMN1; SMN2MMP9MMP2MAPK1ALDH1A1
SCHEMBL7668109 0.81 MMP9 (0.55) SMN1; SMN2MMP9MMP2MAPK1ALDH1A1
SCHEMBL7667927 0.81 ALDH1A1 (0.57) MMP9MMP2ALDH1A1KMT2AADAMTS4
SCHEMBL7669305 0.80 HPN (0.51) MMP9
SCHEMBL7685704 0.79 CYP2C19 (0.44) CYP2C19MMP9MMP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403644-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES INDUCED BY OVEREXPRESSION AND EXCESS ACTIVITY OF MATRIX METALLOPROTEINASE; FOR EXAMPLE, RHEUMATOID, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-11 US disclosed
US-6177466-B1 Sulfonylamino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 US disclosed
EP-0757037-A2 Sulfonylamino acid derivatives as metalloproteinase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1997-02-05 EP disclosed