SCHEMBL5529617

SCHEMBL5529617

CCC(NC(=O)OC(C)(C)C)[C@H](O)c1nnc(COC)o1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
CTSS P25774 2/20 0.36

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
SCHEMBL3622543 1.00 CTSK (0.44) CTSKKMT2AALDH1A1L3MBTL1TSHR
SCHEMBL5462513 1.00 CTSK (0.44) CTSKKMT2AALDH1A1L3MBTL1TSHR
SCHEMBL14507999 0.89 CTSK (0.44) CTSKKMT2AALDH1A1L3MBTL1TSHR
SCHEMBL5524483 0.89 CTSK (0.44) CTSKKMT2AALDH1A1L3MBTL1TSHR
SCHEMBL5524487 0.89 CTSK (0.44) CTSKKMT2AALDH1A1L3MBTL1TSHR
SCHEMBL8283280 0.89 CTSK (0.44) CTSKKMT2AALDH1A1L3MBTL1TSHR
SCHEMBL5413768 0.86 CTSK (0.46) CTSKKMT2AALDH1A1L3MBTL1TSHR
SCHEMBL5418010 0.81 ALDH1A1 (0.50) KMT2AALDH1A1TSHRHSD17B10LMNA
Butyl Alcohol SCHEMBL5946053 0.81 ALDH1A1 (0.46) CTSKKMT2AALDH1A1L3MBTL1TSHR
Butyl Alcohol SCHEMBL5946160 0.81 ALDH1A1 (0.46) CTSKKMT2AALDH1A1L3MBTL1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 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 (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-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS CTSK 7/4885KMT2A 2579/4885ALDH1A1 2087/4885

“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.