SCHEMBL13828860

SCHEMBL13828860

CC(C)(C)OC(=O)NC(CC(F)C(=O)CO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.44
▸ CTSK P43235 5/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ ACE P12821 1/20 0.43
▸ PPARA Q07869 8/20 0.41
▸ PPARG P37231 7/20 0.41
▸ PPARD Q03181 2/20 0.40
▸ CAPN1 P07384 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
SCHEMBL13832930 0.84 PPARA (0.45) CTSSCTSKCTSLCTSBACE
SCHEMBL18614293 0.83 CTSS (0.49) CTSSCTSKCTSLCTSBACE
SCHEMBL8280383 0.83 CTSS (0.49) CTSSCTSKCTSLCTSBACE
SCHEMBL26115324 0.83 CTSS (0.49) CTSSCTSKCTSLCTSBACE
SCHEMBL27723686 0.81 CTSK (0.51) CTSSCTSKCTSLCTSBACE
SCHEMBL7280758 0.80 CTSS (0.49) CTSSCTSKCTSLCTSBACE
Hydrazine SCHEMBL8410651 0.78 CTSL (0.62) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL13598609 0.78 CTSS (0.48) CTSSCTSKCTSLCTSBACE
SCHEMBL4424071 0.78 CTSS (0.48) CTSSCTSKCTSLCTSBACE
SCHEMBL66243 0.78 CTSL (0.66) CTSSCTSKCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8747809-B2 Single diastereomers of 4-fluoroglutamine and methods of their preparation and use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-06-10 — — US disclosed
US-20120288444-A1 SINGLE DIASTEREOMERS OF 4-FLUOROGLUTAMINE AND METHODS OF THEIR PREPARATION AND USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-11-15 — — 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-20120288444-A1 SINGLE DIASTEREOMERS OF 4-FLUOROGLUTAMINE AND METHODS OF THEIR PREPARATION AND USE GCG, FPGS, FOLH1 CTSS 1784/4885CTSK 1895/4885CTSL 2144/4885

“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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