SCHEMBL5441985

SCHEMBL5441985

N[C@@H](CS(=O)(=O)Cc1ccccc1)C(=O)NC1CC(=O)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XIAP P98170 3/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HPGD P15428 1/20 0.38
GRM7 Q14831 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FPR1 P21462 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP13 P45452 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5441936 0.86 XIAP (0.40) XIAPSLC1A3SLC1A2SLC1A1HPGD
SCHEMBL6560207 0.79 GRM7 (0.37) SLC1A3SLC1A2SLC1A1GRM7ALDH1A1
SCHEMBL5447012 0.78 ALDH1A1 (0.38) XIAPSLC1A3SLC1A2SLC1A1HPGD
SCHEMBL5439990 0.78 CTSK (0.48)
SCHEMBL5436099 0.76 GBA1 (0.39) XIAPSLC1A3SLC1A2SLC1A1HPGD
SCHEMBL4430587 0.75 ALPI (0.56) XIAPSLC1A3SLC1A2SLC1A1HPGD
SCHEMBL6848353 0.74 CTSS (0.54)
SCHEMBL5440809 0.74 CTSK (0.40) XIAP
SCHEMBL5438727 0.74 CTSK (0.46) XIAP
SCHEMBL8291801 0.73 HPGD (0.48) XIAPSLC1A3SLC1A2SLC1A1HPGD

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-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US claimed
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 XIAP 258/4885SLC1A3 3768/4885SLC1A2 4598/4885

“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.