SCHEMBL3419341

SCHEMBL3419341

N=C(N)c1ccc(C[C@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.60
F10 P00742 2/20 0.60
CA2 P00918 1/20 0.56
TMPRSS6 Q8IU80 3/20 0.55
PLAT P00750 2/20 0.54
KAT6A Q92794 1/20 0.53
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
PLAU P00749 2/20 0.52
PLG P00747 3/20 0.49
TPSAB1 Q15661 1/20 0.49

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
SCHEMBL3057528 1.00 F2 (0.60) F2F10CA2TMPRSS6PLAT
Piperidine SCHEMBL7370685 0.92 F2 (0.53) F2F10CA2TMPRSS6PLAT
SCHEMBL9664068 0.90 F10 (0.71) F2F10TMPRSS6PLATPLAU
SCHEMBL9710389 0.87 F2 (0.70) F2F10TMPRSS6ITGB3ITGA2B
SCHEMBL7370481 0.87 F2 (0.58) F2F10TMPRSS6PLATKAT6A
SCHEMBL9189122 0.86 PLG (0.67) F2F10PLAUPLG
SCHEMBL29514928 0.86 PLG (0.67) F2F10PLAUPLG
SCHEMBL29651383 0.86 PLG (0.67) F2F10PLAUPLG
SCHEMBL872422 0.86 PLG (0.67) F2F10PLAUPLG
SCHEMBL8144360 0.86 PLG (0.67) F2F10PLAUPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304815-A1 Antimicrobial And Biological Active Polymer Composites And Related Methods, Materials and Devices VACHON DAVID JOHN (US) 2017-10-26 US disclosed
EP-3190881-A1 ANTIMICROBIAL AND BIOLOGICALLY ACTIVE POLYMER COMPOSITES AND RELATED METHODS, MATERIALS AND DEVICES Iasis Molecular Sciences (US) 2017-07-19 EP disclosed
WO-2016040529-A1 ANTIMICROBIAL AND BIOLOGICALLY ACTIVE POLYMER COMPOSITES AND RELATED METHODS, MATERIALS AND DEVICES IASIS MOLECULAR SCIENCES (US) 2016-03-17 WO disclosed
WO-2015071841-A1 COMPLEXES OF DABIGATRAN AND ITS DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Druggability Technologies Holdings Limited (IE) 2015-05-21 WO disclosed
US-20100292183-A1 TETRACYCLINE AND USES THEREOF PLAXGEN, INC. 2010-11-18 US disclosed
WO-2001079195-A2 PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed
US-5556941-A ANTICOAGULANTS, THROMBIN INHIBITORS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
US-5250720-A Intermediates for preparing peptide boronic acid inhibitors of trypsin-like proteases THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1993-10-05 US disclosed
US-5242904-A Anticoagulant, antiinflammatory THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1993-09-07 US disclosed
US-5187157-A Anticoagulant, antiinflammatory agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-02-16 US 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-20100292183-A1 TETRACYCLINE AND USES THEREOF TET1, TET3, TNNT2 F2 135/4885F10 471/4885CA2 2033/4885
US-20170304815-A1 Antimicrobial And Biological Active Polymer Composites And Related Methods, Materials and Devices PHOSPHO1, PGLS, PUF60 F2 1074/4885F10 118/4885CA2 1335/4885

“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.