SCHEMBL7355412

SCHEMBL7355412

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.59
MMP8 P22894 3/20 0.59
MMP13 P45452 2/20 0.59
ADAMTS4 O75173 1/20 0.59
NAALAD2 Q9Y3Q0 2/20 0.55
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
FOLH1 Q04609 2/20 0.49
MMP2 P08253 5/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP12 P39900 1/20 0.48
MMP14 P50281 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL1509338 1.00 MMP9 (0.59) MMP9MMP8MMP13ADAMTS4NAALAD2
SCHEMBL6670868 1.00 MMP9 (0.59) MMP9MMP8MMP13ADAMTS4NAALAD2
SCHEMBL1329533 0.86 SLC1A3 (0.56) MMP9MMP8MMP13SLC1A3SLC1A2
SCHEMBL4058881 0.85 SLC1A3 (0.55) MMP9MMP8MMP13SLC1A3SLC1A2
SCHEMBL6671271 0.84 SLC1A3 (0.57) MMP9MMP8MMP13ADAMTS4SLC1A3
SCHEMBL6671273 0.84 SLC1A3 (0.57) MMP9MMP8MMP13ADAMTS4SLC1A3
SCHEMBL12044849 0.84 SLC1A3 (0.54) MMP9MMP8MMP13SLC1A3SLC1A2
SCHEMBL2820939 0.83 SLC1A3 (0.59) MMP9MMP8MMP13ADAMTS4SLC1A3
SCHEMBL6093215 0.83 ITGB3 (0.67) MMP9MMP8MMP13ADAMTS4SLC1A3
SCHEMBL7402563 0.83 SLC1A3 (0.59) MMP9MMP8MMP13ADAMTS4SLC1A3

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 7 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-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-0765338-B1 ARGININE MIMIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 1999-04-21 EP disclosed
US-5883107-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1999-03-16 US disclosed
US-5696231-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS CORVAS INTERNATIONAL, INC. (US) 1997-12-09 US disclosed
EP-0765338-A1 ARGININE MIMIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
WO-1995035312-A1 ARGININE MIMIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-12-28 WO disclosed