SCHEMBL5418258

SCHEMBL5418258

CC(=O)C(NC(=O)C(CC(=O)N1CCOCC1)CS(=O)(=O)Cc1ccccc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSL P07711 4/20 0.43
MMP8 P22894 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CTSS P25774 5/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
CTSK P43235 2/20 0.40
CTSB P07858 1/20 0.40
REN P00797 1/20 0.39
TP53 P04637 1/20 0.39
AIMP2 Q13155 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
SCHEMBL5418253 0.80 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2ACTSLMMP8
SCHEMBL5954910 0.79 CTSS (0.44) ALDH1A1MEN1KMT2ACTSLMMP8
SCHEMBL6081788 0.79 CTSS (0.44) ALDH1A1MEN1KMT2ACTSLMMP8
SCHEMBL5955863 0.79 FKBP1A (0.51) ALDH1A1MEN1KMT2ACTSLMMP8
SCHEMBL5955811 0.79 FKBP1A (0.51) ALDH1A1MEN1KMT2ACTSLMMP8
SCHEMBL5421601 0.79 FKBP1A (0.51) ALDH1A1MEN1KMT2ACTSLMMP8
SCHEMBL6062422 0.77 KMT2A (0.42) ALDH1A1MEN1KMT2AMMP8SMN1; SMN2
SCHEMBL5955899 0.77 REN (0.43) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL5422600 0.76 CTSS (0.42) ALDH1A1CTSLSMN1; SMN2CTSSPOLB
SCHEMBL5955724 0.76 CTSS (0.42) ALDH1A1CTSLCTSSCTSKCTSB

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 6 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
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 ALDH1A1 4046/4885MEN1 4485/4885KMT2A 4623/4885

“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.