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Sugi Predict / Compounds / SCHEMBL5115446

SCHEMBL5115446

SCHEMBL5115446

N/C(=N\O)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 1.00
▸ PRSS1 P07477 13/20 1.00
▸ F10 P00742 7/20 0.81

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
SCHEMBL5115450 1.00 F2 (1.00) F2PRSS1F10
SCHEMBL5111583 0.91 F2 (1.00) F2PRSS1F10
SCHEMBL5111586 0.91 F2 (1.00) F2PRSS1F10
SCHEMBL5109227 0.90 F2 (1.00) F2PRSS1F10
SCHEMBL5109223 0.90 F2 (1.00) F2PRSS1F10
SCHEMBL8242185 0.90 F2 (1.00) F2PRSS1F10
SCHEMBL13990458 0.90 F2 (1.00) F2PRSS1F10
Hydrochloric Acid SCHEMBL5109207 0.89 F2 (0.98) F2PRSS1F10
Hydrochloric Acid SCHEMBL6227472 0.87 F2 (0.91) F2PRSS1F10
SCHEMBL5102732 0.86 F2 (1.00) F2PRSS1F10

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
EP-1355894-B1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIV LJUBLJANI (SI) 2005-03-16 — — EP claimed
US-20080306047-A1 Use of Aza-Phenylalanine Compounds For Treating Cardiac Arrhythmia LEK PHARMACEUTICALS D.D. (SI) 2008-12-11 — — US disclosed
US-20080306047-A1 Use of Aza-Phenylalanine Compounds For Treating Cardiac Arrhythmia LEK PHARMACEUTICALS D.D. (SI) 2008-12-11 — — US disclosed
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 — — US disclosed
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 — — US disclosed
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 — — US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 — — US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 — — US disclosed
WO-2007057181-A1 USE OF AZA-PHENYLALANINE COMPOUNDS FOR TREATING CARDIAC ARRHYTHMIA LEK PHARMACEUTICALS D.D. (SI) 2007-05-24 — — WO disclosed
EP-1355894-B1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIV LJUBLJANI (SI) 2005-03-16 — — EP 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-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors TFPI, SERPINC1, F2 F2 3/4885PRSS1 34/4885F10 57/4885
US-20080306047-A1 Use of Aza-Phenylalanine Compounds For Treating Cardiac Arrhythmia NPR1, PAH, AZI2 F2 2483/4885PRSS1 2299/4885F10 2464/4885

“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.