SCHEMBL4970302

SCHEMBL4970302

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOC1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.49
CTSL P07711 4/20 0.49
CTSS P25774 3/20 0.49
CTSB P07858 1/20 0.49
CAPN1 P07384 1/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
SCN9A Q15858 1/20 0.42
REN P00797 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
SCHEMBL29097060 1.00 CTSK (0.49) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL29097056 1.00 CTSK (0.49) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL29097057 1.00 CTSK (0.49) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL4973488 0.82 CTSS (0.45) CTSKCTSSGAA
SCHEMBL4969118 0.81 CTSS (0.50) CTSKCTSS
SCHEMBL8073460 0.79 CA1 (0.34) CTSKCTSS
SCHEMBL4535888 0.79 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL4915249 0.79 GAA (0.54) GAA
SCHEMBL1271608 0.79 GAA (0.54) GAA
SCHEMBL1036703 0.79 GAA (0.54) GAA

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
EP-1489076-B1 CYCLIC HEMIACETAL DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2008-08-13 EP disclosed
US-7202274-B2 Cyclic hemiacetal derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-04-10 US disclosed
US-20050119499-A1 Cyclic hemiacetal derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-06-02 US disclosed
EP-1489076-A1 CYCLIC HEMIACETAL DERIVATIVE AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2004-12-22 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-20050119499-A1 Cyclic hemiacetal derivative and use thereof CAPN1, CAPN2, CAPNS1 CTSK 798/4885CTSL 304/4885CTSS 190/4885

“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.