SCHEMBL6094499

SCHEMBL6094499

Nc1nc2c(s1)CC(CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.54
SCN5A Q14524 2/20 0.54
F2 P00734 7/20 0.50
TMPRSS11D O60235 11/20 0.43
F10 P00742 4/20 0.43
PLG P00747 3/20 0.43
SCN9A Q15858 2/20 0.42
SCN4A P35499 1/20 0.42
MASP2 O00187 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL6094815 0.90 SCN4A (0.51) SCN3ASCN5AF2TMPRSS11DF10
SCHEMBL6194913 0.86 F2 (0.50) SCN3ASCN5AF2TMPRSS11DF10
SCHEMBL6094898 0.86 F2 (0.50) SCN3ASCN5AF2TMPRSS11DF10
SCHEMBL6096030 0.83 TMPRSS11D (0.46) F2TMPRSS11DF10PLGPRSS1
SCHEMBL6093799 0.81 SCN4A (0.54) SCN3AF2TMPRSS11DF10PLG
SCHEMBL6219378 0.78 F2 (0.52) SCN3ASCN5AF2TMPRSS11DF10
SCHEMBL6094023 0.78 F2 (0.52) SCN3ASCN5AF2TMPRSS11DF10
SCHEMBL7129383 0.77 TMPRSS11D (0.42) F2TMPRSS11DF10PLGPRSS1
SCHEMBL6094266 0.77 TMPRSS11D (0.42) F2TMPRSS11DF10PLGPRSS1
SCHEMBL6094669 0.76 SCN4A (0.48) SCN3AF2TMPRSS11DF10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US claimed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP claimed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US claimed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 SCN3A 3213/4885SCN5A 2786/4885F2 2/4885

“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.