SCHEMBL5424732

SCHEMBL5424732

CCC(NC(=O)C(CC(=O)N1CCOCC1)CS(=O)(=O)Cc1ccccc1)C(=O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
CTSL P07711 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSS P25774 5/20 0.40
CTSK P43235 2/20 0.40
REN P00797 9/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PSMB5 P28074 1/20 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
SCHEMBL14562986 0.96 RAB9A (0.39) RAB9ACTSLSMN1; SMN2CTSSCTSK
SCHEMBL5421858 0.96 RAB9A (0.39) RAB9ACTSLSMN1; SMN2CTSSCTSK
SCHEMBL14562963 0.94 NPC1 (0.40) RAB9ACTSLSMN1; SMN2CTSSCTSK
SCHEMBL5424625 0.94 NPC1 (0.40) RAB9ACTSLSMN1; SMN2CTSSCTSK
SCHEMBL5415710 0.94 FAAH (0.39) RAB9ACTSLSMN1; SMN2CTSSCTSK
SCHEMBL14562931 0.94 FAAH (0.39) RAB9ACTSLSMN1; SMN2CTSSCTSK
SCHEMBL5424719 0.93 NPC1 (0.41) RAB9ACTSLSMN1; SMN2CTSSCTSK
SCHEMBL5419930 0.90 L3MBTL1 (0.39) RAB9ASMN1; SMN2CTSSCTSKLMNA
SCHEMBL14562909 0.90 L3MBTL1 (0.39) RAB9ASMN1; SMN2CTSSCTSKLMNA
SCHEMBL14562913 0.89 NPC1 (0.39) RAB9ASMN1; SMN2CTSSCTSKLMNA

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
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
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 RAB9A 512/4885CTSL 11/4885SMN1; SMN2 3350/4885

“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.