SCHEMBL6737534

SCHEMBL6737534

CN(C#N)C(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.44
CTSS P25774 4/20 0.44
CTSL P07711 3/20 0.44
CTSK P43235 2/20 0.44
CTSF Q9UBX1 1/20 0.44
PIN1 Q13526 6/20 0.37
CCKBR P32239 2/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SCN9A Q15858 1/20 0.34

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 0.90 CTSB (0.42) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6063285 0.90 CTSB (0.42) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6741608 0.90 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1558021 0.90 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL7658551 0.90 CTSL (0.52) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062038 0.89 LMNA (0.41) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6063237 0.89 CTSB (0.44) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6063145 0.89 TAS1R3 (0.42) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6061943 0.89 CTSB (0.48) CTSBCTSSCTSLCTSKCTSF
SCHEMBL7682674 0.89 CTSB (0.46) 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 4 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 disclosed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP disclosed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS 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.