SCHEMBL8234598

SCHEMBL8234598

NC(CNC(=O)C1OCCO1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.39
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ CASR P41180 1/20 0.33
▸ GSR P00390 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC7A11 Q9UPY5 1/20 0.33
▸ GGT1 P19440 1/20 0.33

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
SCHEMBL12831879 0.76 CASR (0.39) GFPT1CASR
SCHEMBL1769506 0.76 ITGB3 (0.50) GFPT1ITGB3ITGA2BPTGS1SLC7A11
SCHEMBL1769508 0.76 ITGB3 (0.50) GFPT1ITGB3ITGA2BPTGS1SLC7A11
SCHEMBL826937 0.73 ANPEP (0.36) GFPT1GSRPTGS1SLC7A11
SCHEMBL25406446 0.71 EPHX1 (0.50) GFPT1ITGB3ITGA2B
SCHEMBL25406448 0.71 EPHX1 (0.50) GFPT1ITGB3ITGA2B
SCHEMBL31524073 0.69 CYP2D6 (0.50) GFPT1CASRGSRPTGS1SLC7A11
SCHEMBL29382069 0.69 GFPT1 (0.44) GFPT1ITGB3ITGA2BCASR
SCHEMBL25660435 0.69 PTGS1 (0.41) PTGS1SLC7A11
SCHEMBL10514319 0.69 PTGS1 (0.41) PTGS1SLC7A11

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-20090240029-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides AMBRX, INC. (US) 2009-09-24 — — US disclosed
US-20090240029-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides AMBRX, INC. (US) 2009-09-24 — — US disclosed
WO-2007079130-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2007-07-12 — — 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-20090240029-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides DNPEP, DDC, PTMS GFPT1 66/4885ITGB3 1390/4885ITGA2B 2274/4885

“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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