SCHEMBL14280758

SCHEMBL14280758

COC(=O)C(Cc1cccnc1N)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
KLK5 Q9Y337 1/20 0.46
CTSS P25774 4/20 0.44
CTSK P43235 3/20 0.44
SCN9A Q15858 12/20 0.44
SCN10A Q9Y5Y9 5/20 0.43
CYP3A4 P08684 5/20 0.42
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41

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
SCHEMBL31251264 0.87 CTSK (0.41) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL30705546 0.86 TACR1 (0.48) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL14280757 0.84 KLK5 (0.46) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL28127769 0.83 KLK5 (0.52) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL4073149 0.82 TACR1 (0.43) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL29039962 0.81 KLK5 (0.49) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL16464699 0.80 HDAC6 (0.60) TACR1KLK5CTSSCTSK
SCHEMBL16464697 0.80 HDAC6 (0.60) TACR1KLK5CTSSCTSK
SCHEMBL19207983 0.79 PRNP (0.39) KLK5SCN9ASCN10ACYP3A4GSTP1
SCHEMBL31250490 0.79 CSF1R (0.39) KLK5CTSSCTSKSCN9ACYP3A4

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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 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 (2 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-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans PYGL, PYGM, GYS1 TACR1 2306/4885KLK5 4469/4885CTSS 2114/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 TACR1 917/4885KLK5 3525/4885CTSS 2636/4885

“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.