SCHEMBL5418253

SCHEMBL5418253

O=C(CNC(=O)C(CC(=O)N1CCOCC1)CS(=O)(=O)Cc1ccccc1)CNS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
CTSL P07711 1/20 0.40
TSHR P16473 1/20 0.39
CTSS P25774 2/20 0.39
MMP8 P22894 1/20 0.39
FKBP1A P62942 1/20 0.39
ADAM33 Q9BZ11 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL14491115 0.84 CTSS (0.53) SMN1; SMN2KMT2ACTSLTSHRCTSS
SCHEMBL6843005 0.84 CTSS (0.53) SMN1; SMN2KMT2ACTSLTSHRCTSS
SCHEMBL5418258 0.80 ALDH1A1 (0.44) SMN1; SMN2RAB9APOLBKMT2AMEN1
SCHEMBL5955863 0.79 FKBP1A (0.51) SMN1; SMN2RAB9APOLBKMT2AMEN1
SCHEMBL5955811 0.79 FKBP1A (0.51) SMN1; SMN2RAB9APOLBKMT2AMEN1
SCHEMBL5421601 0.79 FKBP1A (0.51) SMN1; SMN2RAB9APOLBKMT2AMEN1
SCHEMBL5955838 0.76 CTSS (0.60) CTSLCTSS
SCHEMBL5440673 0.75 LARS1 (0.41) GAACTSSMMP8ALDH1A1
SCHEMBL6062423 0.75 SMN1; SMN2 (0.46) SMN1; SMN2RAB9APOLBKMT2AMEN1
SCHEMBL6633088 0.75 TACR2 (0.40) SMN1; SMN2RAB9APOLBKMT2AMEN1

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 8 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-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO 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 SMN1; SMN2 3350/4885RAB9A 512/4885POLB 2141/4885

“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.