SCHEMBL6437308

SCHEMBL6437308

O=C(O)C1CCCN1C(=O)C(O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ACE P12821 7/20 0.53
F2 P00734 2/20 0.53
LTA4H P09960 2/20 0.52
ITGB3 P05106 1/20 0.49
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGA5 P08648 1/20 0.49
ITGA4 P13612 1/20 0.49
REN P00797 1/20 0.49

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
SCHEMBL6437305 1.00 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ACEF2LTA4H
SCHEMBL13570514 0.88 F2 (0.53) ALDH1A1SMN1; SMN2ACEF2
SCHEMBL15743824 0.88 F2 (0.51) ALDH1A1SMN1; SMN2ACEF2LTA4H
SCHEMBL15743844 0.88 F2 (0.51) ALDH1A1SMN1; SMN2ACEF2LTA4H
SCHEMBL14828681 0.86 F2 (0.52) ACEF2REN
SCHEMBL14828684 0.86 F2 (0.52) ACEF2REN
SCHEMBL8837256 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ACEF2LTA4H
SCHEMBL14664081 0.85 F2 (0.48) ACEF2
SCHEMBL14664080 0.85 F2 (0.48) ACEF2
SCHEMBL3238628 0.84 DPP4 (0.67) ALDH1A1SMN1; SMN2ACEF2LTA4H

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
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
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO 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 ALDH1A1 170/4885SMN1; SMN2 2799/4885ACE 234/4885

“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.