SCHEMBL6062047

SCHEMBL6062047

N#CC1(NC(=O)[CH]CS(=O)(=O)Cc2ccccc2OC(F)F)CCN(C(N)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.36
CTSB P07858 10/20 0.36
CTSL P07711 9/20 0.36
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAP3K7 O43318 2/20 0.32
TAB1 Q15750 2/20 0.32
CTSK P43235 5/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7571017 0.76 CTSS (0.34) CTSSCTSBCTSLCTSK
SCHEMBL5438728 0.76 CA12 (0.34) KMT2ACA12CA1CA2CA9
SCHEMBL6062055 0.75 CTSS (0.43) CTSSCTSBCTSLCTSK
SCHEMBL7666708 0.75 CTSS (0.34) CTSSCTSBCTSL
SCHEMBL5445593 0.75 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL5445291 0.74 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL6061996 0.73 CTSS (0.40) CTSSCTSBCTSLALDH1A1GAA
SCHEMBL6061716 0.71 L3MBTL1 (0.32) ALDH1A1KDM4EGAAMAP3K7TAB1
SCHEMBL7666715 0.71 CTSS (0.44) CTSSCTSBCTSLCTSK
SCHEMBL6063311 0.70 CTSS (0.49) CTSSCTSBCTSLCTSK

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
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
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSS 1/4885CTSB 2/4885CTSL 10/4885

“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.