SCHEMBL6742152

SCHEMBL6742152

CC(C)(C)OC(=O)N1CCN(C(=O)NCC(C(=O)NCC#N)S(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.50
CTSS P25774 8/20 0.46
CTSK P43235 6/20 0.46
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ACHE P22303 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 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
SCHEMBL7659544 0.88 GAA (0.54)
SCHEMBL6744961 0.83 CTSS (0.48) CTSSCTSKCTSBCTSL
SCHEMBL5532239 0.83 CTSS (0.46) STSCTSSCTSKCTSBCTSL
SCHEMBL6741766 0.82 CTSS (0.60) CTSSCTSKCTSBCTSL
SCHEMBL6742147 0.82 CTSS (0.51) STSCTSSCTSKCTSBCTSL
SCHEMBL6744250 0.81 ALDH1A1 (0.52) CTSLKDM4EPKM
SCHEMBL6742151 0.78 STS (0.47) STSGPR119P2RX7KDM4EPKM
SCHEMBL5532237 0.76 CTSS (0.53) CTSSCTSKCTSBCTSL
SCHEMBL15515225 0.75 KDM4E (0.63) STSGPR119KDM4EPKMACHE
SCHEMBL6061910 0.73 CTSL (0.56) CTSSCTSKCTSBCTSL

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 2 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 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 STS 885/4885CTSS 1/4885CTSK 9/4885

“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.