SCHEMBL8346198

SCHEMBL8346198

N=C(N)NCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.57
F2 P00734 12/20 0.57
F10 P00742 7/20 0.57
PLG P00747 7/20 0.57
KLKB1 P03952 2/20 0.55
PROC P04070 1/20 0.55
TMPRSS2 O15393 2/20 0.51
TMPRSS6 Q8IU80 6/20 0.48
F11 P03951 1/20 0.47

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
SCHEMBL8347771 0.90 TMPRSS11D (0.58) TMPRSS11DF2F10PLGKLKB1
SCHEMBL12847292 0.90 F2 (0.58) TMPRSS11DF2F10PLGKLKB1
SCHEMBL17366095 0.89 F2 (0.57) TMPRSS11DF2F10PLGKLKB1
SCHEMBL16843096 0.89 F2 (0.57) TMPRSS11DF2F10PLGKLKB1
SCHEMBL17366096 0.89 F2 (0.57) TMPRSS11DF2F10PLGKLKB1
SCHEMBL20117496 0.89 F2 (0.57) TMPRSS11DF2F10PLGKLKB1
SCHEMBL12514177 0.89 F2 (0.58) TMPRSS11DF2F10PLGKLKB1
SCHEMBL8347227 0.89 F2 (0.56) TMPRSS11DF2F10PLGKLKB1
Acetic Acid SCHEMBL30541187 0.87 F2 (0.55) TMPRSS11DF2F10PLGKLKB1
SCHEMBL12514178 0.87 F2 (0.56) TMPRSS11DF2F10PLGKLKB1

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-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
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
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 (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-20110065799-A1 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF PLAU, PLAUR, SERPINE1 TMPRSS11D 163/4885F2 61/4885F10 94/4885

“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.