SCHEMBL6438290

SCHEMBL6438290

C[C@@H](NCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 11/20 0.65
▸ LMNA P02545 1/20 0.61
▸ LTA4H P09960 4/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ACE2 Q9BYF1 4/20 0.54

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
SCHEMBL6438293 1.00 ACE (0.65) ACELMNALTA4HSMN1; SMN2ACE2
SCHEMBL6436563 1.00 ACE (0.65) ACELMNALTA4HSMN1; SMN2ACE2
SCHEMBL6436560 1.00 ACE (0.65) ACELMNALTA4HSMN1; SMN2ACE2
SCHEMBL10659497 0.95 ACE (0.61) ACELMNALTA4HSMN1; SMN2ACE2
SCHEMBL11052819 0.86 ACE (0.58) ACELMNALTA4HSMN1; SMN2ACE2
SCHEMBL19369794 0.86 ACE (0.53) ACELMNALTA4HSMN1; SMN2ACE2
SCHEMBL3732909 0.85 ACE (0.52) ACELMNALTA4HACE2
SCHEMBL7087531 0.83 ACE (0.56) ACELMNALTA4HACE2
SCHEMBL29290359 0.83 ACE (0.56) ACELMNALTA4HACE2
SCHEMBL10786135 0.81 ACE (0.56) ACELMNALTA4HACE2

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 ACE 234/4885LMNA 993/4885LTA4H 1402/4885

“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.

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