SCHEMBL6469391

SCHEMBL6469391

COc1ccc(C(OC(C)=O)C(=O)N2CCC[C@H]2C(=O)NCc2ccc3c(N)nccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 12/20 0.60
F2 P00734 8/20 0.60
KLKB1 P03952 3/20 0.49
KLK1 P06870 3/20 0.49
ALDH1A1 P00352 1/20 0.47
F7 P08709 6/20 0.46
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
PKM P14618 1/20 0.46
ROCK1 Q13464 1/20 0.45
F3 P13726 1/20 0.44

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
SCHEMBL6870755 1.00 F11 (0.60) F11F2KLKB1KLK1ALDH1A1
SCHEMBL7707933 0.92 F11 (0.61) F11F2KLKB1KLK1F7
SCHEMBL6441512 0.92 F11 (0.61) F11F2KLKB1KLK1F7
SCHEMBL6435490 0.92 F11 (0.62) F11F2KLKB1KLK1F7
SCHEMBL6436216 0.92 F11 (0.62) F11F2KLKB1KLK1F7
SCHEMBL6435495 0.92 F11 (0.62) F11F2KLKB1KLK1F7
SCHEMBL6438483 0.90 F11 (0.61) F11F2KLKB1KLK1F7
SCHEMBL6436900 0.90 F11 (0.60) F11F2KLKB1KLK1F7
SCHEMBL6436898 0.90 F11 (0.60) F11F2KLKB1KLK1F7
SCHEMBL6436268 0.87 F11 (0.56) F11F2KLKB1KLK1F7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878838-B2 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-04-12 US disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis NORTH CAROLINA AT CHAPEL HILL, UNIVERSITY OF, THE 2004-09-30 US 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 (2 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 1/4885KLKB1 2515/4885
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis ZKSCAN2, TPRKB, KHK F11 2946/4885F2 2934/4885KLKB1 156/4885

“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.