SCHEMBL6434756

SCHEMBL6434756

Nc1nccc2cc(CNC(=O)C3CCN3C(=O)C(NCC(=O)O)c3ccccc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 12/20 0.55
F2 P00734 10/20 0.55
F7 P08709 7/20 0.49
F3 P13726 2/20 0.49
F10 P00742 5/20 0.46
PRSS1 P07477 5/20 0.46
PRSS2 P07478 5/20 0.46
PRSS3 P35030 5/20 0.46
F12 P00748 3/20 0.46
F9 P00740 1/20 0.46
KLKB1 P03952 4/20 0.46
KLK1 P06870 4/20 0.46

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
SCHEMBL6434772 1.00 F11 (0.55) F11F2F7F3F10
SCHEMBL6436777 0.95 F11 (0.61) F11F2F7F3F10
SCHEMBL6435610 0.88 F11 (0.58) F11F2F7F10PRSS1
SCHEMBL6435612 0.88 F11 (0.58) F11F2F7F10PRSS1
SCHEMBL7566890 0.88 F11 (0.54) F11F2F7F3F10
SCHEMBL3754447 0.86 F11 (0.60) F11F2F7F3F10
SCHEMBL27903245 0.86 F11 (0.60) F11F2F7F3F10
Hydrochloric Acid SCHEMBL27754452 0.85 F11 (0.59) F11F2F7F3F10
SCHEMBL6436504 0.85 F11 (0.54) F11F2F7F3F10
Hydrochloric Acid SCHEMBL3761016 0.85 F11 (0.59) F11F2F7F3F10

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 5 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

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 1/4885F7 27/4885

“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.