SCHEMBL6094898

SCHEMBL6094898

Nc1ncc2c(n1)CCC(CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1)C2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.50
F10 P00742 5/20 0.50
TMPRSS11D O60235 12/20 0.44
PLG P00747 3/20 0.43
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
SCN5A Q14524 1/20 0.38
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL6194913 1.00 F2 (0.50) F2F10TMPRSS11DPLGPRSS1
SCHEMBL6219378 0.92 F2 (0.52) F2F10TMPRSS11DPLGPRSS1
SCHEMBL6094023 0.92 F2 (0.52) F2F10TMPRSS11DPLGPRSS1
SCHEMBL6094266 0.90 TMPRSS11D (0.42) F2F10TMPRSS11DPLGPRSS1
SCHEMBL7129383 0.90 TMPRSS11D (0.42) F2F10TMPRSS11DPLGPRSS1
SCHEMBL6094499 0.86 SCN3A (0.54) F2F10TMPRSS11DPLGPRSS1
SCHEMBL6096030 0.86 TMPRSS11D (0.46) F2F10TMPRSS11DPLGPRSS1
SCHEMBL6092574 0.81 XIAP (0.44) F2F10TMPRSS11DPLGPRSS1
Hydrochloric Acid SCHEMBL6094528 0.79 F2 (0.46) F2F10PRSS1PDGFRBKDR
SCHEMBL6094199 0.78 F2 (0.46) F2F10PRSS1PDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 F2 2/4885F10 65/4885TMPRSS11D 112/4885

“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.