SCHEMBL8445778

SCHEMBL8445778

C[C@@H](NS(=O)(=O)c1ccc(C#Cc2ccc3ccccc3c2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.59
MMP9 P14780 6/20 0.52
MMP2 P08253 8/20 0.51
MMP13 P45452 8/20 0.51
MMP3 P08254 5/20 0.50
MMP1 P03956 2/20 0.50
MMP7 P09237 2/20 0.50
ACACB O00763 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
SLC16A3 O15427 1/20 0.47

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
SCHEMBL10021355 0.88 MMP9 (0.70) ADAMTS4MMP9MMP2MMP13MMP3
SCHEMBL10830548 0.85 ADAMTS4 (0.66) ADAMTS4MMP9MMP2MMP13MMP3
SCHEMBL7322447 0.85 ADAMTS4 (0.66) ADAMTS4MMP9MMP2MMP13MMP3
SCHEMBL14191405 0.84 ADAMTS4 (0.55) ADAMTS4MMP9MMP2MMP13MMP3
SCHEMBL8448397 0.82 MMP9 (0.58) ADAMTS4MMP9MMP2MMP13MMP3
SCHEMBL8450205 0.81 MMP9 (0.75) ADAMTS4MMP9MMP2MMP13MMP3
SCHEMBL8449004 0.81 MMP9 (0.75) ADAMTS4MMP9MMP2MMP13MMP3
SCHEMBL8448908 0.80 ADAMTS4 (0.59) ADAMTS4MMP9MMP2MMP13MMP3
SCHEMBL8446616 0.80 ADAMTS4 (0.61) ADAMTS4MMP9MMP2MMP13MMP3
SCHEMBL8446569 0.78 ADAMTS4 (0.59) ADAMTS4MMP9MMP2MMP13MMP3

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-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP claimed
EP-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP disclosed