SCHEMBL8448545

SCHEMBL8448545

Cc1ccc(C=Cc2ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 1/20 0.60
▸ MMP9 P14780 5/20 0.57
▸ MMP2 P08253 5/20 0.57
▸ MMP1 P03956 4/20 0.57
▸ MMP13 P45452 4/20 0.57
▸ MMP3 P08254 3/20 0.57
▸ MMP7 P09237 3/20 0.57
▸ SLC1A3 P43003 1/20 0.54
▸ SLC1A2 P43004 1/20 0.54
▸ SLC1A1 P43005 1/20 0.54
▸ HTT P42858 2/20 0.51
▸ TSHR P16473 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HDAC4 P56524 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA1 P00915 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ CA12 O43570 2/20 0.48

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
SCHEMBL8448539 1.00 ADAMTS4 (0.60) ADAMTS4MMP9MMP2MMP1MMP13
SCHEMBL4975578 0.91 ADAMTS4 (0.71) ADAMTS4MMP9MMP2MMP1MMP13
SCHEMBL698908 0.91 ADAMTS4 (0.71) ADAMTS4MMP9MMP2MMP1MMP13
SCHEMBL698907 0.91 ADAMTS4 (0.71) ADAMTS4MMP9MMP2MMP1MMP13
Water SCHEMBL29881522 0.89 ADAMTS4 (0.69) ADAMTS4MMP9MMP2MMP1MMP13
SCHEMBL25195705 0.88 MAPT (0.58) ADAMTS4MMP9MMP2MMP1MMP13
SCHEMBL25265502 0.88 MAPT (0.58) ADAMTS4MMP9MMP2MMP1MMP13
SCHEMBL8445775 0.87 HSD17B10 (0.55) MMP9MMP2MMP1MMP13MMP3
SCHEMBL13074225 0.83 MMP2 (0.68) ADAMTS4MMP9MMP2MMP1MMP13
SCHEMBL8449004 0.82 MMP9 (0.75) ADAMTS4MMP9MMP2MMP1MMP13

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
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