SCHEMBL4891122

SCHEMBL4891122

CONC(=O)C(NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.50
CTSS P25774 7/20 0.50
MAPT P10636 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
ATM Q13315 1/20 0.41
PPARD Q03181 2/20 0.40

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
SCHEMBL4891125 1.00 CTSK (0.50) CTSKCTSSMAPTCTSLCTSB
SCHEMBL3640282 0.86 CTSK (0.52) CTSKCTSSMAPTCTSLCTSB
SCHEMBL3640281 0.86 CTSK (0.52) CTSKCTSSMAPTCTSLCTSB
SCHEMBL29701907 0.85 CTSK (0.51) CTSKCTSSMAPTCTSLCTSB
SCHEMBL29702002 0.85 CTSK (0.51) CTSKCTSSMAPTCTSLCTSB
SCHEMBL1883313 0.85 CTSK (0.50) CTSKCTSSMAPTCTSLCTSB
SCHEMBL2187825 0.84 CTSK (0.52) CTSKCTSSMAPTCTSLCTSB
SCHEMBL2187819 0.84 CTSK (0.52) CTSKCTSSMAPTCTSLCTSB
SCHEMBL503473 0.84 CTSK (0.52) CTSKCTSSMAPTCTSLCTSB
SCHEMBL6541799 0.83 CTSS (0.53) CTSKCTSSMAPTCTSLCTSB

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-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-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
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 CTSK 3323/4885CTSS 2636/4885MAPT 4846/4885

“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.