SCHEMBL7671733

SCHEMBL7671733

O=C(Nc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.57
CTSL P07711 2/20 0.46
MMP2 P08253 4/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA2B P08514 2/20 0.43
ITGB1 P05556 1/20 0.43
ITGB5 P18084 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
CTSS P25774 1/20 0.43

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
SCHEMBL7671588 0.88 MMP9 (0.68) MMP9MMP2ITGB3ITGAVITGA2B
SCHEMBL7671736 0.82 MMP9 (0.57) MMP9CTSLMMP2
SCHEMBL7665147 0.82 MMP9 (0.71) MMP9CTSLMMP2F2PRSS1
SCHEMBL7663396 0.82 MMP9 (0.71) MMP9CTSLMMP2F2PRSS1
SCHEMBL7667544 0.80 MMP9 (0.78) MMP9MMP2
SCHEMBL7673655 0.80 MMP9 (0.78) MMP9MMP2
SCHEMBL11267792 0.75 RAB9A (0.50) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3338015 0.75 MAPT (0.49) MEN1KMT2A
SCHEMBL7583642 0.75 MMP9 (0.70) MMP9MMP2
SCHEMBL27786110 0.74 MAPT (0.47) MEN1KMT2A

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