SCHEMBL6094815

SCHEMBL6094815

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.51
F2 P00734 11/20 0.48
F10 P00742 5/20 0.48
SCN3A Q9NY46 3/20 0.43
SCN5A Q14524 1/20 0.41
TMPRSS11D O60235 6/20 0.41
PLG P00747 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
SCHEMBL6093799 0.92 SCN4A (0.54) SCN4AF2F10SCN3ATMPRSS11D
SCHEMBL6094499 0.90 SCN3A (0.54) SCN4AF2F10SCN3ASCN5A
SCHEMBL6094266 0.86 TMPRSS11D (0.42) F2F10TMPRSS11DPLG
SCHEMBL7129383 0.86 TMPRSS11D (0.42) F2F10TMPRSS11DPLG
SCHEMBL6094669 0.86 SCN4A (0.48) SCN4AF2F10SCN3ATMPRSS11D
SCHEMBL6093332 0.83 TMPRSS11D (0.43) F2F10TMPRSS11DPLG
Hydrochloric Acid SCHEMBL6093111 0.82 SCN4A (0.57) SCN4AF2F10SCN3ASCN5A
SCHEMBL6093463 0.82 TMPRSS11D (0.44) F2F10TMPRSS11DPLG
SCHEMBL6092937 0.82 SCN4A (0.57) SCN4AF2F10SCN3ASCN5A
SCHEMBL6179403 0.81 SCN4A (0.60) SCN4AF2F10SCN3ASCN5A

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 SCN4A 3774/4885F2 2/4885F10 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.