SCHEMBL7357439

SCHEMBL7357439

CS(=O)(=O)CC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
MMP2 P08253 7/20 0.49
MMP9 P14780 7/20 0.49
MMP13 P45452 3/20 0.49
MMP1 P03956 2/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
ITGB3 P05106 5/20 0.48
ITGA2B P08514 3/20 0.48
ITGAV P06756 2/20 0.47
MMP8 P22894 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HPGD P15428 1/20 0.43

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
SCHEMBL4058881 0.88 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL7402072 0.86 ITGB3 (0.48) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL600046 0.86 ALDH1A1 (0.52) SLC1A3SLC1A2SLC1A1MMP2MMP9
Proline SCHEMBL7406200 0.84 ITGB3 (0.47) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL1329533 0.84 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL6818050 0.83 ITGB3 (0.53) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL6670868 0.82 MMP9 (0.59) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL1509338 0.82 MMP9 (0.59) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL7355412 0.82 MMP9 (0.59) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL3898276 0.82 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025472-A PEPTIDE ALDEHYDES WHICH ARE POTENT INHIBITORS OF FACTOR XA, USEFUL AS THERAPEUTIC AGENTS FOR DISEASE STATES IN MAMMALS CHARACTERIZED BY ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 2000-02-15 US disclosed
US-5696231-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS CORVAS INTERNATIONAL, INC. (US) 1997-12-09 US disclosed
EP-0801654-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1997-10-22 EP disclosed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 WO disclosed