SCHEMBL13037348

SCHEMBL13037348

C#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OC)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 0.53
MMP13 P45452 13/20 0.52
MMP2 P08253 12/20 0.52
MMP3 P08254 12/20 0.52
MMP1 P03956 12/20 0.52
MMP7 P09237 11/20 0.52
CYP2C9 P11712 1/20 0.50
MMP8 P22894 1/20 0.50
CA12 O43570 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ADAMTS4 O75173 2/20 0.48
ADAM17 P78536 1/20 0.46
MMP14 P50281 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
SCHEMBL159724 0.92 CYP2C9 (0.50) MMP9MMP13MMP2MMP3MMP1
SCHEMBL1659451 0.84 MMP2 (0.54) MMP9MMP13MMP2MMP3MMP1
SCHEMBL8283901 0.82 MMP2 (0.76) MMP9MMP13MMP2MMP3MMP1
SCHEMBL690201 0.81 MMP2 (0.68) MMP9MMP13MMP2MMP3MMP1
SCHEMBL690202 0.81 MMP2 (0.68) MMP9MMP13MMP2MMP3MMP1
SCHEMBL6723663 0.81 MMP9 (0.72) MMP9MMP13MMP2MMP3MMP1
SCHEMBL6723666 0.81 MMP9 (0.72) MMP9MMP13MMP2MMP3MMP1
SCHEMBL8283226 0.81 MMP2 (0.68) MMP9MMP13MMP2MMP3MMP1
SCHEMBL7347163 0.81 MMP9 (0.72) MMP9MMP13MMP2MMP3MMP1
SCHEMBL5899567 0.81 MMP9 (0.61) MMP9MMP13MMP2MMP3MMP1

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
US-7825146-B2 Sulfonamide derivative having isoxazole ring SHIONOGI & CO., LTD. (JP) 2010-11-02 US disclosed
US-7825146-B2 Sulfonamide derivative having isoxazole ring SHIONOGI & CO., LTD. (JP) 2010-11-02 US disclosed