SCHEMBL322298

SCHEMBL322298

N#Cc1ccc(C(=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
CTNNB1 P35222 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
USP30 Q70CQ3 1/20 0.39
FOLH1 Q04609 2/20 0.39
ADAMTS5 Q9UNA0 2/20 0.39
ADAMTS4 O75173 1/20 0.39
PSMB11 A5LHX3 1/20 0.39
PSMD11 O00231 1/20 0.39
PSMD12 O00232 1/20 0.39
PSMD14 O00487 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMD3 O43242 1/20 0.39
PSMC3 P17980 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
SCHEMBL321996 0.88 CTSB (0.46) F2F10PRSS1CTSGCTRB1
SCHEMBL15308907 0.85 F2 (0.51) F2F10CTNNB1FOLH1PSMB8
SCHEMBL3752985 0.83 TMPRSS11D (0.51) F2F10PRSS1
SCHEMBL635785 0.73 TMPRSS11D (0.53) F2F10PRSS1
SCHEMBL1509338 0.73 MMP9 (0.59) FOLH1ADAMTS4CA2CA1GAA
SCHEMBL6670868 0.73 MMP9 (0.59) FOLH1ADAMTS4CA2CA1GAA
SCHEMBL7355412 0.73 MMP9 (0.59) FOLH1ADAMTS4CA2CA1GAA
SCHEMBL10056562 0.73 CA1 (0.49) F2F10PSMB1PSMB8PSMB9
SCHEMBL8347227 0.72 F2 (0.56) F2F10
SCHEMBL2167674 0.72 TMPRSS11D (0.53) F2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921319-B2 Serine protease inhibitors THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-12-30 US disclosed
EP-2590945-B1 SERINE PROTEASE INHIBITORS MEDICINES CO LEIPZIG GMBH (DE) 2014-04-30 EP disclosed
US-20130267467-A1 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-10-10 US disclosed
EP-2590945-A2 SERINE PROTEASE INHIBITORS The Medicines Company (Leipzig) GmbH (DE) 2013-05-15 EP disclosed
WO-2012004678-A2 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-01-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130267467-A1 SERINE PROTEASE INHIBITORS SERPINE1, KLKB1, SERPINC1 F2 6/4885F10 47/4885PRSS1 18/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.