SCHEMBL3752985

SCHEMBL3752985

N=C(N)c1ccc(C(=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.51
F10 P00742 10/20 0.51
PLG P00747 8/20 0.51
F2 P00734 8/20 0.51
KLKB1 P03952 2/20 0.45
F11 P03951 1/20 0.45
TMPRSS2 O15393 2/20 0.44
PROC P04070 1/20 0.42
F7 P08709 1/20 0.40
PRSS1 P07477 2/20 0.40
TMPRSS15 P98073 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 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
SCHEMBL635785 0.92 TMPRSS11D (0.53) TMPRSS11DF10PLGF2KLKB1
SCHEMBL8347227 0.89 F2 (0.56) TMPRSS11DF10PLGF2KLKB1
SCHEMBL2167674 0.89 TMPRSS11D (0.53) TMPRSS11DF10PLGF2KLKB1
SCHEMBL2167189 0.87 TMPRSS11D (0.50) TMPRSS11DF10PLGF2KLKB1
SCHEMBL322298 0.83 F2 (0.43) F10F2PRSS1
SCHEMBL2167336 0.82 TMPRSS11D (0.51) TMPRSS11DF10PLGF2KLKB1
Hydrochloric Acid SCHEMBL6853389 0.81 TMPRSS11D (0.50) TMPRSS11DF10PLGF2TMPRSS2
SCHEMBL20560497 0.81 F2 (0.58) TMPRSS11DF10PLGF2KLKB1
SCHEMBL1328107 0.81 F2 (0.58) TMPRSS11DF10PLGF2KLKB1
SCHEMBL12847292 0.81 F2 (0.58) TMPRSS11DF10PLGF2KLKB1

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-8476306-B2 Urokinase inhibitors, production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-02 US disclosed
US-20110065799-A1 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-03-17 US disclosed
US-7838560-B2 for the therapy, prophylaxis and diagnosis of a tumor; benzylsulfonyl-D-Ser-Glu-4-amidinobenzylamidexTFA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-11-23 US disclosed
EP-1485345-B1 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF CURACYTE AG (DE) 2008-06-25 EP disclosed
US-20050176993-A1 Urokinase inhibitors, production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2005-08-11 US disclosed
EP-1485345-A2 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF Curacyte AG (DE) 2004-12-15 EP disclosed
WO-2003076391-A2 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF CURACYTE AG (DE) 2003-09-18 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 (2 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-20050176993-A1 Urokinase inhibitors, production and use thereof PLAU, PLAUR, SERPINE1 TMPRSS11D 163/4885F10 94/4885PLG 6/4885
US-20110065799-A1 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF PLAU, PLAUR, SERPINE1 TMPRSS11D 163/4885F10 94/4885PLG 6/4885

“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.