SCHEMBL2868043

SCHEMBL2868043

CCOC(=O)C(C)C[C@H](NC(=O)OC(C)(C)C)C(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CTSK P43235 6/20 0.39
▸ CTSS P25774 4/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL1912532 0.81 CYP1A2 (0.49) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL6842368 0.76 CYP1A2 (0.50) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL13078313 0.74 CA1 (0.53) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL8446912 0.74 CA1 (0.53) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL1731214 0.74 CYP1A2 (0.51) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL26489244 0.74 CYP1A2 (0.51) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL7803484 0.74 CYP1A2 (0.54) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL15663302 0.74 CYP1A2 (0.54) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL14357345 0.74 CYP1A2 (0.54) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL20313909 0.73 CA1 (0.48) CA1CA2CA7CYP1A2CYP2C9

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-7750162-B2 Process for preparation of nonnatural amino acid and intermediate thereof DAISO CO., LTD. (JP) 2010-07-06 — — US disclosed
US-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof DAISO CO., LTD. (JP) 2007-09-06 — — US disclosed
EP-1739077-A1 PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR DAISO CO., LTD. (JP) 2007-01-03 — — 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-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof BCAT1, BCAT2, AADAT CA1 2028/4885CA2 4192/4885CA7 3621/4885

“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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