SCHEMBL8364626

SCHEMBL8364626

COC(=O)C[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
ITGB3 P05106 4/20 0.51
ITGA2B P08514 3/20 0.51
MMP2 P08253 7/20 0.46
MMP9 P14780 6/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGAV P06756 1/20 0.44
HPGD P15428 1/20 0.43
CA12 O43570 1/20 0.42
CA7 P43166 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
SCHEMBL19390223 0.87 TMPRSS11D (0.52) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL8365625 0.87 ABCB1 (0.46) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL6436536 0.87 TMPRSS11D (0.52) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL10058309 0.86 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL6671271 0.85 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL6671273 0.85 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL7406815 0.83 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL3898276 0.82 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
Acetic Acid Methyl Ester SCHEMBL7406812 0.81 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL6668234 0.80 ITGB3 (0.67) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B

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-5955576-A PEPTIDE ALDEHYDE ANALOGS THAT INHIBIT THROMBIN OR FACTOR XA; FOR PREVENTION OR TREATMENT OF ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1999-09-21 US disclosed
EP-0684830-B1 INHIBITORS OF THROMBOSIS CORVAS INT INC (US) 1999-06-16 EP disclosed
US-5886146-A N-ACYLATED OR SULFONATED TRIPEPTIDES FROM PROLINE, ARGININE AND AMINO ACID WITH CARBOXY OR TETRAZOLE GROUP CORVAS INTERNATIONAL, INC. (US) 1999-03-23 US disclosed
US-5492895-A PEPTIDE ALDEHYDE ANALOGS CORVAS INTERNATIONAL, INC. (US) 1996-02-20 US disclosed