SCHEMBL6439145

SCHEMBL6439145

Nc1nccc2oc(CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NCC(=O)O)C3CCCCC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.48
PRSS1 P07477 3/20 0.48
PLAT P00750 1/20 0.48
F11 P03951 8/20 0.44
F10 P00742 3/20 0.38
ALDH1A1 P00352 1/20 0.37
F12 P00748 2/20 0.36
PRSS2 P07478 2/20 0.36
F7 P08709 2/20 0.36
PRSS3 P35030 2/20 0.36
F9 P00740 1/20 0.36

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
SCHEMBL6439144 1.00 F2 (0.48) F2PRSS1PLATF11F10
SCHEMBL6436284 0.96 F2 (0.44) F2PRSS1PLATF11F10
SCHEMBL6436292 0.96 F2 (0.44) F2PRSS1PLATF11F10
SCHEMBL6438918 0.86 F2 (0.45) F2PRSS1F11F10ALDH1A1
SCHEMBL6438914 0.86 F2 (0.45) F2PRSS1F11F10ALDH1A1
SCHEMBL6438838 0.85 F2 (0.47) F2PRSS1F11F10ALDH1A1
SCHEMBL6438847 0.85 F2 (0.47) F2PRSS1F11F10ALDH1A1
SCHEMBL6435914 0.84 F2 (0.54) F2PRSS1PLATF11F10
SCHEMBL6435919 0.84 F2 (0.54) F2PRSS1PLATF11F10
SCHEMBL6438637 0.84 F2 (0.61) F2PRSS1PLATF11F10

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 F2 1/4885PRSS1 857/4885PLAT 37/4885

“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.