SCHEMBL5414830

SCHEMBL5414830

O=C([CH]O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 3/20 0.47
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP8 P22894 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL1896875 0.80 RAB9A (0.52) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL9395643 0.79 SMN1; SMN2 (0.56) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL27574038 0.78 SMN1; SMN2 (0.48) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL2655370 0.78 SMN1; SMN2 (0.48) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL28074921 0.78 RAB9A (0.55) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL293876 0.78 SMN1; SMN2 (0.54) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL36422 0.78 MEN1 (0.52) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL21561681 0.78 CA12 (0.54) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL20547256 0.78 MEN1 (0.52) SMN1; SMN2CA12CA1CA9MEN1
Formic Acid SCHEMBL28163209 0.78 MEN1 (0.47) SMN1; SMN2CA12CA1CA9MEN1

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 claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO claimed

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 SMN1; SMN2 3350/4885CA12 626/4885CA1 309/4885

“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.