SCHEMBL12736705

SCHEMBL12736705

CC(=O)OC(=O)CC(N)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GRIK1 P39086 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GRIA4 P48058 1/20 0.31
▸ GRIK3 Q13003 1/20 0.31
▸ GRIK5 Q16478 1/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30

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
SCHEMBL1985156 0.83 ALDH1A1 (0.38) ALDH1A1TSHRGRIK1HSD17B10TDP1
SCHEMBL1824383 0.83 ALDH1A1 (0.38) ALDH1A1TSHRGRIK1HSD17B10TDP1
SCHEMBL7781249 0.83 GRIK1 (0.50) GRIK1GRIA4GRIK3GRIK5
SCHEMBL29808913 0.82 ALOX15 (0.33) GRIK1GRIA4GRIK3GRIK5
Acetic Acid SCHEMBL27618718 0.81 GRIK1 (0.48) GRIK1GRIA4GRIK3GRIK5
SCHEMBL27464717 0.77 TSHR (0.41) ALDH1A1TSHRGRIK1HSD17B10TDP1
SCHEMBL5813287 0.77 TSHR (0.41) ALDH1A1TSHRGRIK1HSD17B10TDP1
SCHEMBL2855141 0.77 TSHR (0.41) ALDH1A1TSHRGRIK1HSD17B10TDP1
SCHEMBL16838812 0.77 TSHR (0.42) ALDH1A1TSHRHSD17B10
SCHEMBL29115441 0.77 TSHR (0.42) ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9396921-B2 Method and apparatus for pyrolysis-induced cleavage in peptides and proteins WYOMING RESEARCH PRODUCTS CENTER (US) 2016-07-19 — — US disclosed
US-20140284466-A1 Method and Apparatus for Pyrolysis-induced Cleavage in Peptides and Proteins THE UNIVERSITY OF WYOMING (US) 2014-09-25 — — US disclosed
US-8637325-B2 Method and apparatus for pyrolysis-induced cleavage in peptides and proteins UNIVERSITY OF WYOMING (US) 2014-01-28 — — US disclosed
US-20110084203-A1 METHOD AND APPARATUS FOR PYROLYSIS-INDUCED CLEAVAGE IN PEPTIDES AND PROTEINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-14 — — 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-20110084203-A1 METHOD AND APPARATUS FOR PYROLYSIS-INDUCED CLEAVAGE IN PEPTIDES AND PROTEINS DNPEP, PGA5, PEPD ALDH1A1 4868/4885TSHR 3641/4885GRIK1 421/4885

“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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