SCHEMBL6840887

SCHEMBL6840887

N#CC(NC(=O)[C@@H](N)CS(=O)(=O)Cc1ccccc1)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 9/20 0.44
POLB P06746 1/20 0.39
CTSL P07711 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CTSH P09668 1/20 0.36
CYP2D6 P10635 1/20 0.36
CTSK P43235 1/20 0.36
CTSS P25774 1/20 0.36
MIF P14174 1/20 0.36
HPGD P15428 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CYP2C19 P33261 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
SCHEMBL6739717 0.80 CTSC (0.48) CTSCCTSLCYP1A2CYP3A4CTSH
SCHEMBL6742782 0.75 CTSC (0.49) CTSCCTSLCTSKCTSSHPGD
SCHEMBL6742769 0.73 CTSC (0.47) CTSCCTSLCTSKCTSSHPGD
SCHEMBL6742169 0.73 CTSC (0.47) CTSCCTSLCTSKCTSSHPGD
SCHEMBL9644142 0.70 ALDH1A1 (0.53) POLBCTSLSMN1; SMN2ALDH1A1HPGD
SCHEMBL4430587 0.70 ALPI (0.56) ALDH1A1HPGDSLC1A3SLC1A2SLC1A1
SCHEMBL6744256 0.70 CTSL (0.72) CTSLALDH1A1CTSKCTSS
SCHEMBL6744264 0.70 CTSL (0.72) CTSLALDH1A1CTSKCTSS
SCHEMBL10922453 0.69 SMN1; SMN2 (0.46) POLBCTSLSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8291801 0.68 HPGD (0.48) ALDH1A1HPGDSLC1A3SLC1A2SLC1A1

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 CTSC 13/4885POLB 2216/4885CTSL 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.