SCHEMBL6436260

SCHEMBL6436260

CC(C)(C)OC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1cc2c(N)nccc2s1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.47
PRSS1 P07477 7/20 0.40
PLAT P00750 1/20 0.40
F11 P03951 10/20 0.38
F12 P00748 5/20 0.35
F10 P00742 3/20 0.35
PRSS2 P07478 3/20 0.35
F7 P08709 3/20 0.35
PRSS3 P35030 3/20 0.35
F9 P00740 1/20 0.35

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
SCHEMBL6436257 1.00 F2 (0.47) F2PRSS1PLATF11F12
SCHEMBL6437403 0.96 F2 (0.44) F2PRSS1PLATF11F12
SCHEMBL6437401 0.96 F2 (0.44) F2PRSS1PLATF11F12
SCHEMBL6436747 0.89 F2 (0.44) F2PRSS1PLATF11F12
SCHEMBL6718116 0.89 F2 (0.44) F2PRSS1PLATF11F12
SCHEMBL7699519 0.86 F2 (0.36) F2PRSS1F11F12F10
SCHEMBL6439832 0.86 F2 (0.36) F2PRSS1F11F12F10
SCHEMBL6439829 0.86 F2 (0.36) F2PRSS1F11F12F10
SCHEMBL6436664 0.83 F2 (0.41) F2PRSS1F11F10PRSS2
SCHEMBL6436662 0.83 F2 (0.41) F2PRSS1F11F10PRSS2

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.