SCHEMBL6062844

SCHEMBL6062844

N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NS(=O)(=O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.45
CTSS P25774 6/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSK P43235 1/20 0.41
CTSF Q9UBX1 1/20 0.41
CTSL P07711 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6740924 1.00 CTSB (0.45) CTSBCTSSALDH1A1HTTSMN1; SMN2
SCHEMBL6745241 0.88 CTSS (0.43) CTSBCTSSALDH1A1SMN1; SMN2CTSK
SCHEMBL6745245 0.88 CTSS (0.43) CTSBCTSSALDH1A1SMN1; SMN2CTSK
SCHEMBL1556742 0.85 CTSS (0.65) CTSBCTSSCTSKCTSFCTSL
SCHEMBL1556740 0.85 CTSS (0.65) CTSBCTSSCTSKCTSFCTSL
SCHEMBL6740044 0.83 CTSS (0.46) CTSBCTSSSMN1; SMN2TSHRMAPT
SCHEMBL6063152 0.83 CTSS (0.46) CTSBCTSSSMN1; SMN2TSHRMAPT
SCHEMBL6740829 0.82 CTSS (0.48) CTSBCTSSCTSKCTSL
SCHEMBL6062041 0.81 CTSC (0.41) CTSBCTSSKMT2ACTSKCTSL
SCHEMBL5418267 0.81 CTSS (0.43) CTSBCTSSKMT2ACTSKCTSL

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 CTSB 2/4885CTSS 1/4885ALDH1A1 4044/4885

“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.