SCHEMBL6096030

SCHEMBL6096030

O=C(NCC1CCc2n[nH]cc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.46
F2 P00734 9/20 0.45
F10 P00742 7/20 0.45
PLG P00747 5/20 0.45
PRSS1 P07477 3/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 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
SCHEMBL6093332 0.89 TMPRSS11D (0.43) TMPRSS11DF2F10PLGPRSS1
SCHEMBL6094898 0.86 F2 (0.50) TMPRSS11DF2F10PLGPRSS1
SCHEMBL6194913 0.86 F2 (0.50) TMPRSS11DF2F10PLGPRSS1
SCHEMBL6094499 0.83 SCN3A (0.54) TMPRSS11DF2F10PLGPRSS1
Hydrochloric Acid SCHEMBL6094357 0.83 F2 (0.43) F2PRSS1
SCHEMBL6095928 0.80 XIAP (0.46) TMPRSS11DF2F10PLGPRSS1
SCHEMBL6093463 0.78 TMPRSS11D (0.44) TMPRSS11DF2F10PLGPRSS1
SCHEMBL6094023 0.78 F2 (0.52) TMPRSS11DF2F10PLGPRSS1
SCHEMBL6219378 0.78 F2 (0.52) TMPRSS11DF2F10PLGPRSS1
SCHEMBL6179483 0.78 F2 (0.47) F2PRSS1

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 6 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
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP claimed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO claimed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US 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 TMPRSS11D 112/4885F2 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.