SCHEMBL5413768

SCHEMBL5413768

COCc1nnc(C(O)C(C)NC(=O)OC(C)(C)C)o1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.46
KMT2A Q03164 2/20 0.45
TSHR P16473 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
Butyl Alcohol SCHEMBL5474361 0.92 ALDH1A1 (0.46) CTSKKMT2ATSHRHSD17B10HTT
Butyl Alcohol SCHEMBL5946053 0.92 ALDH1A1 (0.46) CTSKKMT2ATSHRHSD17B10HTT
Butyl Alcohol SCHEMBL5946160 0.92 ALDH1A1 (0.46) CTSKKMT2ATSHRHSD17B10HTT
SCHEMBL5529617 0.86 CTSK (0.44) CTSKKMT2ATSHRHSD17B10HTT
SCHEMBL3622543 0.86 CTSK (0.44) CTSKKMT2ATSHRHSD17B10HTT
SCHEMBL5462513 0.86 CTSK (0.44) CTSKKMT2ATSHRHSD17B10HTT
SCHEMBL31250629 0.82 CTSK (0.45) CTSKKMT2ATSHRHSD17B10HTT
SCHEMBL16492827 0.81 KMT2A (0.50) CTSKKMT2ATSHRHSD17B10HTT
SCHEMBL5524483 0.74 CTSK (0.44) CTSKKMT2ATSHRHSD17B10HTT
SCHEMBL5524487 0.74 CTSK (0.44) CTSKKMT2ATSHRHSD17B10HTT

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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSK 8/4885KMT2A 4623/4885TSHR 4359/4885

“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.