SCHEMBL5901033

SCHEMBL5901033

O=C(O)C1CCCN1C(=O)C(O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.66
LTA4H P09960 5/20 0.65
ACE2 Q9BYF1 4/20 0.55

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
SCHEMBL9554742 0.89 ACE (0.81) ACELTA4HACE2
SCHEMBL9554734 0.89 ACE (0.81) ACELTA4HACE2
SCHEMBL6367888 0.86 ACE (0.66) ACELTA4H
SCHEMBL11565565 0.86 ACE (0.66) ACELTA4HACE2
SCHEMBL3726264 0.85 ACE (0.70) ACELTA4H
SCHEMBL3726263 0.85 ACE (0.70) ACELTA4H
SCHEMBL11497547 0.85 ACE (0.66) ACELTA4HACE2
SCHEMBL5900809 0.85 ACE (0.70) ACELTA4H
SCHEMBL6787617 0.85 ACE (0.76) ACELTA4HACE2
SCHEMBL6436643 0.85 ACE (0.70) ACELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111553-A1 Novel thrombin inhibitors, the preparation and use thereof ABBOTT GMBH & CO. KG (DE) 2006-05-25 US disclosed
US-20030004308-A1 Novel thrombin inhibitors, the preparation and use thereof BOHM HANS-JOACHIM (DE) 2003-01-02 US disclosed
US-6455671-B1 COMPOUND FOR USE IN THE TREATMENT OF THROMBOSIS ABBOTT LABORATORIES 2002-09-24 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-20060111553-A1 Novel thrombin inhibitors, the preparation and use thereof TFPI, F2, TFPI2 ACE 98/4885LTA4H 210/4885ACE2 156/4885
US-20030004308-A1 Novel thrombin inhibitors, the preparation and use thereof TFPI, SERPINC1, F2 ACE 110/4885LTA4H 253/4885ACE2 209/4885

“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.