SCHEMBL7753338

SCHEMBL7753338

CCc1ccc(S(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)OC(C)(C)C)C(=O)OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.43
CA2 P00918 11/20 0.43
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
MMP2 P08253 6/20 0.36
MMP9 P14780 6/20 0.36
MMP8 P22894 4/20 0.36
MMP12 P39900 4/20 0.36
MMP14 P50281 4/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
PTPRB P23467 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7748705 0.92 ALDH1A1 (0.38) CA1CA2CA12CA9ALDH1A1
SCHEMBL7753629 0.83 ITGB3 (0.47)
SCHEMBL7748751 0.81 SYK (0.42) CA1CA12MMP2MMP9MMP8
SCHEMBL7752387 0.81 MMP2 (0.44) CA1CA2MMP2MMP9MMP8
SCHEMBL7748597 0.80 ALDH1A1 (0.39) CA1CA2CA12CA9ALDH1A1
SCHEMBL7752666 0.78 MMP2 (0.45) CA1CA2MMP2MMP9MMP8
SCHEMBL7748713 0.77 SYK (0.40) CA1CA12ALDH1A1POLB
SCHEMBL7752670 0.72 ITGAV (0.42) CA1CA2ALDH1A1
SCHEMBL24129425 0.72 CA2 (0.49) CA1CA2CA12CA9PTPRB
SCHEMBL7753684 0.72 MEN1 (0.41) CA1CA2MMP2MMP9MMP8

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
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed