SCHEMBL6441537

SCHEMBL6441537

Nc1nccc2ccc(CNC(=O)C3CCCN3C(=O)C(CC3CCCCC3)NC(=O)OCc3ccccc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.52
F2 P00734 4/20 0.52
HTRA1 Q92743 5/20 0.45
F12 P00748 3/20 0.44
TMPRSS11D O60235 2/20 0.43
F10 P00742 2/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
PLG P00747 1/20 0.42
HDAC1 Q13547 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
SCHEMBL6441539 1.00 F11 (0.52) F11F2HTRA1F12TMPRSS11D
SCHEMBL6437960 0.97 F11 (0.47) F11F2HTRA1F12CTSB
SCHEMBL6437961 0.97 F11 (0.47) F11F2HTRA1F12CTSB
SCHEMBL6438301 0.94 F11 (0.59) F11F2HTRA1F12TMPRSS11D
SCHEMBL6438304 0.94 F11 (0.59) F11F2HTRA1F12TMPRSS11D
SCHEMBL6439087 0.92 F11 (0.54) F11F2TMPRSS11DF10PLG
SCHEMBL6439083 0.92 F11 (0.54) F11F2TMPRSS11DF10PLG
SCHEMBL6439960 0.91 F11 (0.54) F11F2HTRA1F12F10
SCHEMBL6439958 0.91 F11 (0.54) F11F2HTRA1F12F10
SCHEMBL6438232 0.86 F11 (0.61) F11F2F12TMPRSS11DF10

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-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 F11 4/4885F2 1/4885HTRA1 367/4885

“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.