SCHEMBL5115442

SCHEMBL5115442

COc1ccc2cc(S(=O)(=O)NN(Cc3cccc(C#N)c3)C(=O)N3CCCCCC3)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.73
PRSS1 P07477 13/20 0.73
F10 P00742 6/20 0.73
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL5109515 0.91 F2 (0.74) F2PRSS1F10HCRTR1HCRTR2
SCHEMBL5114785 0.91 F2 (0.71) F2PRSS1F10
SCHEMBL5109171 0.87 F2 (0.75) F2PRSS1F10HCRTR1HCRTR2
SCHEMBL5111586 0.85 F2 (1.00) F2PRSS1F10
SCHEMBL5111583 0.85 F2 (1.00) F2PRSS1F10
SCHEMBL6227405 0.84 F2 (1.00) F2PRSS1F10
Hydrochloric Acid SCHEMBL5117372 0.84 F2 (0.98) F2PRSS1F10
SCHEMBL5111592 0.84 F2 (0.84) F2PRSS1F10
SCHEMBL5103963 0.82 F2 (0.73) F2PRSS1F10
SCHEMBL5442989 0.82 F2 (0.50) F2PRSS1F10HCRTR1HCRTR2

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-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
EP-1355894-B1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIV LJUBLJANI (SI) 2005-03-16 EP disclosed
US-20040048851-A1 Amidinophenylalanine derivatives as thrombin inhibitors UNIVERZA V LJUBLJANA (SI) 2004-03-11 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 (2 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-20040048851-A1 Amidinophenylalanine derivatives as thrombin inhibitors TFPI, SERPINC1, F2 F2 3/4885PRSS1 63/4885F10 56/4885
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors TFPI, SERPINC1, F2 F2 3/4885PRSS1 34/4885F10 57/4885

“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.