SCHEMBL6436846

SCHEMBL6436846

COc1ccc(CC(NCC(=O)O)C(=O)N2CCCC2C(=O)NCc2ccc3c(N)nccc3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 12/20 0.63
F2 P00734 9/20 0.63
KLKB1 P03952 3/20 0.48
KLK1 P06870 3/20 0.48
PRSS1 P07477 6/20 0.46
ALDH1A1 P00352 1/20 0.46
F7 P08709 6/20 0.45
F10 P00742 5/20 0.45
PRSS2 P07478 5/20 0.45
PRSS3 P35030 5/20 0.45
F12 P00748 3/20 0.45
F9 P00740 1/20 0.45
PKM P14618 1/20 0.45
ROCK1 Q13464 1/20 0.44
F3 P13726 1/20 0.43

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
SCHEMBL6436848 1.00 F11 (0.63) F11F2KLKB1KLK1PRSS1
SCHEMBL6435295 0.96 F11 (0.56) F11F2KLKB1KLK1PRSS1
SCHEMBL6435301 0.96 F11 (0.56) F11F2KLKB1KLK1PRSS1
SCHEMBL6440387 0.94 F11 (0.55) F11F2KLKB1KLK1PRSS1
SCHEMBL7955244 0.94 F11 (0.55) F11F2KLKB1KLK1PRSS1
SCHEMBL6440392 0.94 F11 (0.55) F11F2KLKB1KLK1PRSS1
SCHEMBL6438340 0.92 F11 (0.65) F11F2KLKB1KLK1PRSS1
SCHEMBL3767038 0.92 F11 (0.65) F11F2KLKB1KLK1PRSS1
SCHEMBL6436634 0.92 F2 (0.60) F11F2KLKB1KLK1PRSS1
Hydrochloric Acid SCHEMBL6436633 0.91 F2 (0.59) F11F2KLKB1KLK1PRSS1

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-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 F11 4/4885F2 1/4885KLKB1 2515/4885

“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.