SCHEMBL49083

SCHEMBL49083

N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NC(=O)c1ccc(C(=N)N)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 11/20 0.49
F10 P00742 13/20 0.47
PLG P00747 10/20 0.47
F2 P00734 8/20 0.47
TMPRSS2 O15393 2/20 0.46
PRSS1 P07477 3/20 0.45
KLKB1 P03952 2/20 0.44
PROC P04070 1/20 0.44
F11 P03951 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL2167336 0.87 TMPRSS11D (0.51) TMPRSS11DF10PLGF2TMPRSS2
Hydrochloric Acid SCHEMBL6853389 0.86 TMPRSS11D (0.50) TMPRSS11DF10PLGF2TMPRSS2
SCHEMBL18419482 0.84 F10 (0.47) TMPRSS11DF10PLGF2PRSS1
SCHEMBL12156717 0.80 F2 (0.59) TMPRSS11DF10PLGF2TMPRSS2
SCHEMBL5499067 0.80 F10 (0.42) TMPRSS11DF10PLGF2PRSS1
SCHEMBL8289971 0.80 F2 (0.59) TMPRSS11DF10PLGF2TMPRSS2
SCHEMBL8597124 0.79 SLC1A3 (0.49) TMPRSS11DF10PLGF2TMPRSS2
SCHEMBL8799340 0.79 SLC1A3 (0.49) TMPRSS11DF10PLGF2TMPRSS2
Hydrochloric Acid SCHEMBL6544447 0.79 F10 (0.42) TMPRSS11DF10PLGF2PRSS1
SCHEMBL8346198 0.79 TMPRSS11D (0.57) TMPRSS11DF10PLGF2TMPRSS2

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-8129547-B2 Anticoagulation of human blood ex vivo HELLSTERN PETER (DE) 2012-03-06 US disclosed
US-20100280412-A1 Anticoagulation Of Human Blood Ex Vivo HELLSTERN PETER 2010-11-04 US disclosed
EP-1973929-B1 ANTICOAGULATION OF HUMAN BLOOD EX VIVO HELLSTERN PETER (DE) 2010-09-29 EP disclosed
EP-1973929-A2 ANTICOAGULATION OF HUMAN BLOOD EX VIVO Hellstern, Peter (DE) 2008-10-01 EP disclosed
WO-2007085461-A2 ANTICOAGULATION OF HUMAN BLOOD EX VIVO STÜRZEBECHER, Uta (DE) 2007-08-02 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-20100280412-A1 Anticoagulation Of Human Blood Ex Vivo F5, TFPI, F11 TMPRSS11D 496/4885F10 9/4885PLG 65/4885

“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.