SCHEMBL5445285

SCHEMBL5445285

CC(C)(NC(=O)C(N)CS(=O)(=O)Cc1ccccc1)C(O)C1(c2ccccc2)SCCCS1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
FPR1 P21462 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL14491123 0.80 CTSS (0.49) CTSLCTSBCTSS
SCHEMBL5445816 0.74 HPGD (0.40) ALDH1A1HPGDFPR1HSD17B10GAA
SCHEMBL6742782 0.66 CTSC (0.49) HPGDCTSLCTSBCTSS
SCHEMBL4430587 0.65 ALPI (0.56) ALDH1A1HPGDFPR1HSD17B10MMP2
SCHEMBL6742769 0.64 CTSC (0.47) HPGDCTSLCTSBCTSS
SCHEMBL5441936 0.64 XIAP (0.40) ALDH1A1HPGDFPR1HSD17B10SLC1A3
SCHEMBL6742169 0.64 CTSC (0.47) HPGDCTSLCTSBCTSS
SCHEMBL8291801 0.64 HPGD (0.48) ALDH1A1HPGDFPR1HSD17B10MMP2
SCHEMBL5447012 0.64 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10SLC1A3SLC1A2
SCHEMBL5441985 0.63 XIAP (0.39) ALDH1A1HPGDFPR1HSD17B10SLC1A3

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-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 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-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE ALDH1A1 3814/4885HPGD 1476/4885FPR1 1570/4885

“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.