SCHEMBL28670163

SCHEMBL28670163

CS(=O)(=O)Oc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.51
MMP7 P09237 2/20 0.51
MMP9 P14780 2/20 0.51
MMP14 P50281 2/20 0.51
MMP1 P03956 1/20 0.51
ENPP2 Q13822 2/20 0.50
MMP3 P08254 1/20 0.47
MMP8 P22894 1/20 0.47
PTGS2 P35354 5/20 0.46
PTGS1 P23219 3/20 0.46
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
CA2 P00918 3/20 0.42
CA9 Q16790 1/20 0.42
CA12 O43570 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9618168 0.94 PTGS2 (0.50) MMP2MMP7MMP9MMP14MMP1
SCHEMBL575589 0.87 CA2 (0.52) MMP2MMP7MMP9MMP14MMP1
SCHEMBL936638 0.82 MMP2 (0.49) MMP2MMP7MMP9MMP14MMP1
SCHEMBL936021 0.82 MMP2 (0.49) MMP2MMP7MMP9MMP14MMP1
SCHEMBL5709618 0.82 MMP2 (0.49) MMP2MMP7MMP9MMP14MMP1
Potassium Ion SCHEMBL31649361 0.82 PTGS2 (0.49) MMP2MMP7MMP9MMP14MMP1
SCHEMBL31191400 0.82 ENPP2 (0.46) ENPP2PTGS2PTGS1PKMCA2
SCHEMBL3675391 0.80 HTT (0.56) MMP2MMP7MMP9MMP14MMP1
SCHEMBL936636 0.80 MMP2 (0.47) MMP2MMP7MMP9MMP14MMP1
SCHEMBL7690155 0.80 MMP2 (0.60) MMP2MMP7MMP9MMP14MMP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113795307-A Pyridopyrimidinyl compounds and methods of use thereof 基因泰克公司 2021-12-14 CN disclosed