SCHEMBL6438232

SCHEMBL6438232

Nc1nccc2cc(CNC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 10/20 0.61
F2 P00734 7/20 0.61
ACE P12821 1/20 0.48
REN P00797 1/20 0.47
CTRB1 P17538 1/20 0.44
F10 P00742 5/20 0.44
F12 P00748 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
F7 P08709 3/20 0.44
PRSS3 P35030 3/20 0.44
F9 P00740 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
HDAC1 Q13547 1/20 0.43
TMPRSS11D O60235 2/20 0.43
PLG P00747 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
SCHEMBL6438235 1.00 F11 (0.61) F11F2ACERENCTRB1
SCHEMBL6436612 0.98 F11 (0.59) F11F2ACERENCTRB1
SCHEMBL6436610 0.98 F11 (0.59) F11F2ACERENCTRB1
SCHEMBL6439057 0.96 F11 (0.55) F11F2ACERENF10
SCHEMBL6439054 0.96 F11 (0.55) F11F2ACERENF10
SCHEMBL6439083 0.94 F11 (0.54) F11F2ACERENCTRB1
SCHEMBL6439087 0.94 F11 (0.54) F11F2ACERENCTRB1
SCHEMBL6438304 0.92 F11 (0.59) F11F2F10F12PRSS1
SCHEMBL6438301 0.92 F11 (0.59) F11F2F10F12PRSS1
SCHEMBL6438939 0.90 F11 (0.62) F11F2ACEPRSS1

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
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
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO 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 1/4885ACE 234/4885

“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.