SCHEMBL6063285

SCHEMBL6063285

CN(C#N)C(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.42
CTSS P25774 6/20 0.42
CTSL P07711 5/20 0.42
CTSK P43235 2/20 0.42
CTSF Q9UBX1 1/20 0.42
S1PR3 Q99500 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL1557816 1.00 CTSB (0.42) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062198 0.93 TAS1R3 (0.41) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6741608 0.91 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1558021 0.91 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6737534 0.90 CTSB (0.44) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062502 0.90 CTSB (0.45) CTSBCTSSCTSLCTSKCTSF
SCHEMBL7658551 0.90 CTSL (0.52) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062038 0.89 LMNA (0.41) CTSBCTSSCTSLCTSKCTSF
SCHEMBL7682674 0.89 CTSB (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6061943 0.89 CTSB (0.48) CTSBCTSSCTSLCTSKCTSF

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 10 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
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
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
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 (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 1/4885CTSL 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.