SCHEMBL6673600

SCHEMBL6673600

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.48
PRSS1 P07477 1/20 0.48
CMA1 P23946 5/20 0.44
PLG P00747 3/20 0.43
ITGB3 P05106 10/20 0.43
ITGA2B P08514 10/20 0.43
CTRC Q99895 1/20 0.41
PLAT P00750 1/20 0.39

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
SCHEMBL6670339 1.00 F2 (0.48) F2PRSS1CMA1PLGITGB3
SCHEMBL6670351 0.93 ITGB3 (0.48) F2PRSS1CMA1PLGITGB3
SCHEMBL8740397 0.92 F2 (0.42) F2PRSS1CMA1PLGITGB3
SCHEMBL8366341 0.91 F2 (0.56) F2PRSS1CMA1PLGCTRC
SCHEMBL6669956 0.88 F2 (0.44) F2PRSS1PLGPLAT
SCHEMBL7371676 0.88 F2 (0.64) F2PRSS1CMA1PLGCTRC
SCHEMBL8361533 0.85 F2 (0.44) F2PRSS1PLGPLAT
SCHEMBL7463324 0.85 F2 (0.60) F2PRSS1PLGPLAT
SCHEMBL6669444 0.85 F2 (0.41) F2PRSS1PLGPLAT
SCHEMBL9450495 0.83 ITGB3 (0.44) F2PRSS1CMA1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627925-B1 TRYPSIN INHIBITORS DENDREON CORP (US) 2004-09-29 EP disclosed
US-5714580-A PROTECTING ALDEHYDE OF AMINOALDEHYDE (I.E. ARGININAL) WITH 4-(DIARYLMETHYL)-SEMICARBAZIDE FOR SUBSEQUENT PEPTIDE ALDEHYDE SYNTHESIS CORVAS INTERNATIONAL, INC. (US) 1998-02-03 US disclosed
EP-0627925-A4 TRYPSIN INHIBITORS. CORVAS INT INC (US) 1997-07-30 EP disclosed
US-5534498-A TREATMENT OF PANCREATITIS CORVAS INTERNATIONAL, INC. (US) 1996-07-09 US disclosed
EP-0627925-A1 TRYPSIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1994-12-14 EP disclosed
WO-1993014779-A1 TRYPSIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1993-08-05 WO disclosed