SCHEMBL4969118

SCHEMBL4969118

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA2 P00918 2/20 0.42
PSENEN Q9NZ42 1/20 0.41
HTT P42858 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
SCHEMBL8961031 0.90 CTSS (0.40) CTSSCTSKKDM4EALDH1A1HPGD
SCHEMBL4973488 0.89 CTSS (0.45) CTSSCTSKKDM4EALDH1A1HPGD
SCHEMBL8075158 0.83 KDM4E (0.36) CTSSCTSKKDM4EALDH1A1HPGD
SCHEMBL9067533 0.82 CTSS (0.35) CTSSCTSK
SCHEMBL29097057 0.81 CTSK (0.49) CTSSCTSK
SCHEMBL29097060 0.81 CTSK (0.49) CTSSCTSK
SCHEMBL4970302 0.81 CTSK (0.49) CTSSCTSK
SCHEMBL29097056 0.81 CTSK (0.49) CTSSCTSK
SCHEMBL8073460 0.80 CA1 (0.34) CTSSCTSKCA2
SCHEMBL1271608 0.78 GAA (0.54)

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 CTSS 190/4885CTSK 798/4885KDM4E 3592/4885

“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.