SCHEMBL6208964

SCHEMBL6208964

CC1(CS(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)NC[NH+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.41
PKM P14618 1/20 0.36
MMP1 P03956 5/20 0.36
MMP13 P45452 4/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP14 P50281 2/20 0.36
ABCB11 O95342 1/20 0.36
MMP10 P09238 1/20 0.36
ADAM17 P78536 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
MGAT1 P26572 1/20 0.34
MGAT3 Q09327 1/20 0.34
MGAT2 Q10469 1/20 0.34

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
SCHEMBL6210006 0.74 MMP13 (0.51) PGRMMP13MMP2MMP3MMP14
SCHEMBL1100587 0.74 MMP13 (0.51) PGRMMP13MMP2MMP3MMP14
SCHEMBL1100591 0.74 MMP13 (0.51) PGRMMP13MMP2MMP3MMP14
SCHEMBL2129951 0.61 HPGD (0.64) PGRALDH1A1L3MBTL1PTGS1PTGS2
SCHEMBL6927009 0.59 PIM1 (0.58) PGRMAPTNPSR1
SCHEMBL6752874 0.58 CYP1A2 (0.78) ALDH1A1L3MBTL1
SCHEMBL2908147 0.58 CA1 (0.57) PGRALDH1A1AR
SCHEMBL5801508 0.58 PGR (0.91) PGRPKMALDH1A1MAPTNPSR1
SCHEMBL7363201 0.57 PTGS2 (0.56) PGRALDH1A1PTGS1PTGS2
SCHEMBL7009516 0.56 SMN1; SMN2 (0.81) PGRMMP1MMP13MMP2MMP9

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-1539740-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004024715-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS ASTRAZENECA AB (SE) 2004-03-25 WO disclosed