SCHEMBL9943562

SCHEMBL9943562

CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 2/20 0.65
▸ KLK7 P49862 1/20 0.65
▸ PPARA Q07869 3/20 0.57
▸ SYK P43405 1/20 0.54
▸ CTSS P25774 4/20 0.54
▸ CACNA1B Q00975 5/20 0.53
▸ CTSK P43235 4/20 0.52
▸ PPARG P37231 2/20 0.52
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ ACE P12821 1/20 0.50
▸ MMP9 P14780 1/20 0.48

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
SCHEMBL12585497 1.00 KLK5 (0.65) KLK5KLK7PPARASYKCTSS
SCHEMBL9943561 1.00 KLK5 (0.65) KLK5KLK7PPARASYKCTSS
SCHEMBL10585294 0.95 KLK5 (0.65) KLK5KLK7PPARASYKCTSS
SCHEMBL4370045 0.95 KLK5 (0.65) KLK5KLK7PPARASYKCTSS
SCHEMBL14300984 0.94 KLK5 (0.64) KLK5KLK7PPARASYKCTSS
SCHEMBL14300985 0.94 KLK5 (0.64) KLK5KLK7PPARASYKCTSS
SCHEMBL5870038 0.94 KLK5 (0.64) KLK5KLK7PPARASYKCTSS
SCHEMBL344670 0.92 PPARA (0.63) KLK5KLK7PPARASYKCTSS
SCHEMBL344669 0.92 PPARA (0.63) KLK5KLK7PPARASYKCTSS
SCHEMBL84710 0.92 PPARA (0.63) KLK5KLK7PPARASYKCTSS

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-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
EP-2464223-A1 SINGLE DIASTEREOMERS OF 4-FLUOROGLUTAMINE AND METHODS FOR THEIR PREPARATION AND USE The Trustees Of The University Of Pennsylvania (US) 2012-06-20 — — 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-20120288444-A1 SINGLE DIASTEREOMERS OF 4-FLUOROGLUTAMINE AND METHODS OF THEIR PREPARATION AND USE GCG, FPGS, FOLH1 KLK5 635/4885KLK7 742/4885PPARA 771/4885

“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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