SCHEMBL6741637

SCHEMBL6741637

CN(C#N)C(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.42
CTSB P07858 8/20 0.42
CTSL P07711 2/20 0.42
CTSK P43235 1/20 0.42
CTSF Q9UBX1 1/20 0.42
MAP3K7 O43318 2/20 0.31
TAB1 Q15750 2/20 0.31
SLC6A9 P48067 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL7658551 0.90 CTSL (0.52) CTSSCTSBCTSLCTSKCTSF
SCHEMBL1558021 0.88 CTSL (0.46) CTSSCTSBCTSLCTSKCTSF
SCHEMBL6741608 0.88 CTSL (0.46) CTSSCTSBCTSLCTSKCTSF
SCHEMBL6061943 0.87 CTSB (0.48) CTSSCTSBCTSLCTSKCTSF
SCHEMBL7682674 0.87 CTSB (0.46) CTSSCTSBCTSLCTSKCTSF
SCHEMBL6063030 0.86 CTSB (0.45) CTSSCTSBCTSLCTSKCTSF
SCHEMBL6062502 0.86 CTSB (0.45) CTSSCTSBCTSLCTSKCTSF
SCHEMBL6062326 0.86 CTSB (0.45) CTSSCTSBCTSLCTSKCTSF
SCHEMBL1558208 0.86 CTSS (0.52) CTSSCTSBCTSLCTSKCTSF
SCHEMBL6740157 0.86 CTSS (0.46) CTSSCTSBCTSLCTSKCTSF

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US claimed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2017-11-23 US 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
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 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 (2 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-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2266/4885CTSB 1079/4885CTSL 2855/4885
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.