SCHEMBL6741538

SCHEMBL6741538

N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1sc2ccccc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.46
CTSS P25774 8/20 0.46
CTSL P07711 1/20 0.44
RXFP1 Q9HBX9 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
PRNP P04156 2/20 0.42
ALDH1A1 P00352 4/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
CTSK P43235 1/20 0.39
CTSF Q9UBX1 1/20 0.39
TLR3 O15455 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL6061640 0.87 RXFP1 (0.40) CTSBCTSSCTSLRXFP1NPSR1
SCHEMBL6063392 0.85 CTSS (0.47) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6737504 0.83 CTSL (0.63) CTSBCTSSCTSLCTSK
SCHEMBL6737501 0.83 CTSL (0.63) CTSBCTSSCTSLCTSK
SCHEMBL6063776 0.83 CTSL (0.56) CTSBCTSSCTSLCTSK
SCHEMBL6737520 0.83 CTSB (0.69) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6742276 0.82 CTSS (0.47) CTSBCTSSCTSLCTSKCTSF
SCHEMBL21403460 0.81 CTSS (0.54) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1990971 0.81 CTSS (0.54) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6744795 0.81 CTSL (0.57) CTSBCTSSCTSLCTSK

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 3 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-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 1/4885CTSL 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.