SCHEMBL16181501

SCHEMBL16181501

CC(CNC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
CTSS P25774 3/20 0.50
SYK P43405 1/20 0.50
IDO1 P14902 1/20 0.46
ATM Q13315 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
KDM4A O75164 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL10239463 0.86 SYK (0.48) CTSKCTSSSYKIDO1ATM
SCHEMBL10318066 0.85 CTSK (0.52) CTSKCTSSSYKIDO1ATM
SCHEMBL10318067 0.85 CTSK (0.52) CTSKCTSSSYKIDO1ATM
SCHEMBL19847664 0.85 CTSK (0.52) CTSKCTSSSYKIDO1ATM
SCHEMBL7834971 0.84 CTSK (0.55) CTSKCTSSSYKIDO1ATM
SCHEMBL10290001 0.84 CTSK (0.49) CTSKCTSSSYKIDO1ATM
SCHEMBL13174965 0.84 CTSK (0.49) CTSKCTSSSYKIDO1ATM
SCHEMBL7338946 0.84 CTSK (0.49) CTSKCTSSSYKIDO1ATM
SCHEMBL12997868 0.83 SYK (0.48) CTSKCTSSSYKIDO1ATM
SCHEMBL1624911 0.82 NPC1 (0.58) CTSKCTSSSYKATM

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-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 US disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 US disclosed
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2015-01-29 US disclosed
US-8865907-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2014-10-21 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-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 CTSK 1584/4885CTSS 3297/4885SYK 3066/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 CTSK 1680/4885CTSS 3492/4885SYK 2911/4885

“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.