SCHEMBL6440387

SCHEMBL6440387

COc1ccc(CC(NCC(=O)O)C(=O)N2CCCC2C(=O)NCc2ccc3ccnc(N)c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.55
F2 P00734 9/20 0.55
PRSS1 P07477 4/20 0.47
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.43
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
APP P05067 1/20 0.41
FAP Q12884 1/20 0.40
F10 P00742 2/20 0.40
F12 P00748 2/20 0.40
PRSS2 P07478 2/20 0.40
F7 P08709 2/20 0.40
PRSS3 P35030 2/20 0.40
F9 P00740 1/20 0.40

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
SCHEMBL7955244 1.00 F11 (0.55) F11F2PRSS1ALDH1A1PKM
SCHEMBL6440392 1.00 F11 (0.55) F11F2PRSS1ALDH1A1PKM
SCHEMBL6436848 0.94 F11 (0.63) F11F2PRSS1ALDH1A1PKM
SCHEMBL6436846 0.94 F11 (0.63) F11F2PRSS1ALDH1A1PKM
SCHEMBL6438356 0.92 F2 (0.57) F11F2PRSS1ALDH1A1PKM
SCHEMBL7705487 0.92 F2 (0.57) F11F2PRSS1ALDH1A1PKM
SCHEMBL6438351 0.92 F2 (0.57) F11F2PRSS1ALDH1A1PKM
SCHEMBL6438710 0.91 F2 (0.55) F11F2PRSS1F10PRSS2
SCHEMBL6438717 0.91 F2 (0.55) F11F2PRSS1F10PRSS2
SCHEMBL6435295 0.90 F11 (0.56) F11F2PRSS1KLKB1KLK1

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 1/4885PRSS1 857/4885

“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.