SCHEMBL1345896

SCHEMBL1345896

COC(=O)[C@@H](N)CCCC(N)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.55
ALDH1A1 P00352 3/20 0.49
IDO1 P14902 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
DPP8 Q6V1X1 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
ANPEP P15144 1/20 0.45
EPOR P19235 1/20 0.44
CTSL P07711 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
Hydrochloric Acid SCHEMBL1347691 0.98 LTA4H (0.54) LTA4HALDH1A1IDO1SLC1A3SLC1A1
Hydrochloric Acid SCHEMBL27452128 0.92 LTA4H (0.56) LTA4HALDH1A1IDO1SLC1A3SLC1A1
SCHEMBL10441465 0.92 IDO1 (0.53) LTA4HALDH1A1IDO1SLC1A3SLC1A1
SCHEMBL4161005 0.92 IDO1 (0.53) LTA4HALDH1A1IDO1SLC1A3SLC1A1
Hydrochloric Acid SCHEMBL28986973 0.91 IDO1 (0.52) LTA4HALDH1A1IDO1SLC1A3SLC1A1
Hydrochloric Acid SCHEMBL9073812 0.91 IDO1 (0.52) LTA4HALDH1A1IDO1SLC1A3SLC1A1
SCHEMBL27324538 0.88 LTA4H (0.59) LTA4HALDH1A1SLC1A3SLC1A1
SCHEMBL10994023 0.88 SLC1A1 (0.52) LTA4HALDH1A1IDO1SLC1A3SLC1A1
SCHEMBL676303 0.88 SLC1A1 (0.52) LTA4HALDH1A1IDO1SLC1A3SLC1A1
SCHEMBL31286410 0.88 IDO1 (0.50) LTA4HALDH1A1IDO1SLC1A3SLC1A1

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
CN-116924943-A Preparation and application of amino acid isocyanate derivative 中国科学院理化技术研究所 2023-10-24 CN disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-4575503-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1986-03-11 US disclosed
US-4537885-A SUBSTITUTED 1-CARBOXY-3-(CARBOXYMETHYLAMINO)-2-ONE DERIVATIVES, ANGIOTENSIN CONVERTING ENZYME INHIBITORS CIBA GEIGY CORPORATION (US) 1985-08-27 US disclosed
US-4470988-A HYPOTENSIVE AGENTS, ENZYME INHIBITOR, CARDIAC DISORDERS CIBA-GEIGY CORPORATION (US) 1984-09-11 US disclosed
EP-0010405-A1 Stable immunochemical assay reagent for the determination of haptens, and assay method using said reagent TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-04-30 EP 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-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS MAPKAPK2, IL2, MAP3K2 LTA4H 3334/4885ALDH1A1 3398/4885IDO1 2305/4885

“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.