SCHEMBL6093293

SCHEMBL6093293

Nc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc3ccccc3)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.46
PRSS1 P07477 4/20 0.46
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
TMPRSS11D O60235 9/20 0.44
F10 P00742 3/20 0.43
PLG P00747 2/20 0.43
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL6092192 0.80 EPHX2 (0.56) EPHX2ALDH1A1LMNAHPGDALOX12
SCHEMBL6093799 0.78 SCN4A (0.54) F2TMPRSS11DF10PLG
SCHEMBL6094155 0.77 CYP2D6 (0.47) F2F10EPHX2ALDH1A1LMNA
SCHEMBL6093307 0.74 ST14 (0.39) F2F10PLG
SCHEMBL7586431 0.74 F2 (0.69) F2PRSS1TMPRSS11DF10PLG
SCHEMBL6094669 0.73 SCN4A (0.48) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL9087480 0.72 TMPRSS11D (0.57) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL6094675 0.72 MAP4K4 (0.46) F2
SCHEMBL6092574 0.72 XIAP (0.44) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7341166 0.71 F2 (0.53) F2PRSS1PRSS2PRSS3TMPRSS11D

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
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
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 2/4885PRSS1 86/4885PRSS2 110/4885

“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.