SCHEMBL3419348

SCHEMBL3419348

N=C(N)c1ccc(C[C@H](NC(=O)C(N)S(=O)(=O)c2cccc3ccccc23)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.51
ITGA4 P13612 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F2 P00734 4/20 0.45
TMPRSS6 Q8IU80 4/20 0.45
HRH4 Q9H3N8 1/20 0.44
F10 P00742 3/20 0.44
CA2 P00918 3/20 0.43
CA1 P00915 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
KCNA5 P22460 1/20 0.42
PLAU P00749 1/20 0.42
PLG P00747 1/20 0.42
F7 P08709 1/20 0.41

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
Piperidine SCHEMBL23882947 0.92 ITGB1 (0.49) ITGB1ITGA4MEN1KMT2AF2
SCHEMBL8823969 0.83 CA2 (0.56) F2TMPRSS6F10CA2CA1
SCHEMBL7361857 0.81 F2 (0.58) ITGB1ITGA4F2TMPRSS6F10
SCHEMBL9664076 0.76 PLG (0.56) F10PLAUPLG
SCHEMBL6572028 0.72 SLC1A3 (0.57) MEN1KMT2AF2CA2CA1
Hydrochloric Acid SCHEMBL9710413 0.71 F2 (0.53) F2TMPRSS6F10CA2ITGB3
SCHEMBL5634327 0.70 LMNA (0.54) ITGB1F2CA2CA1ITGB3
SCHEMBL5634324 0.70 LMNA (0.54) ITGB1F2CA2CA1ITGB3
SCHEMBL27146770 0.70 MMP2 (0.59) ITGB1ITGA4MEN1KMT2AF10
SCHEMBL27146771 0.70 MMP2 (0.59) ITGB1ITGA4MEN1KMT2AF10

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
WO-2021096897-A1 ANTIMICROBIAL AND ANTIVIRAL, BIOLOGICALLY ACTIVE POLYMER COMPOSITES EFFECTIVE AGAINST SARS-COV-2 AND OTHER VIRAL, BACTERIAL AND FUNGAL TARGETS, AND RELATED METHODS, MATERIALS, COATINGS AND DEVICES IASIS MOLECULAR SCIENCES, INC. (US) 2021-05-20 WO disclosed
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-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 ITGB1 1842/4885ITGA4 1151/4885MEN1 3295/4885
US-20170304815-A1 Antimicrobial And Biological Active Polymer Composites And Related Methods, Materials and Devices PHOSPHO1, PGLS, PUF60 ITGB1 394/4885ITGA4 381/4885MEN1 1835/4885

“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.