SCHEMBL5445816

SCHEMBL5445816

CC(C)(NC(=O)C(N)CS(=O)(=O)Cc1ccccc1)C(O)C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ALDH1A1 P00352 4/20 0.35
FPR1 P21462 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
MDM2 Q00987 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL6557623 0.81 KMT2A (0.38) HPGDKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL14491121 0.76 CTSS (0.54) CTSL
SCHEMBL6847779 0.76 CTSS (0.54) CTSL
SCHEMBL5445285 0.74 ALDH1A1 (0.34) HPGDKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL6742782 0.72 CTSC (0.49) HPGDCTSL
SCHEMBL4430587 0.71 ALPI (0.56) HPGDSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL5445806 0.70 ALDH1A1 (0.34) HPGDKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL6742769 0.70 CTSC (0.47) HPGDCTSL
SCHEMBL6742169 0.70 CTSC (0.47) HPGDCTSL
SCHEMBL8291801 0.70 HPGD (0.48) HPGDSLC1A3SLC1A2SLC1A1ALDH1A1

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 4 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
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 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 (2 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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE HPGD 1476/4885KMT2A 4602/4885SLC1A3 3768/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE HPGD 1476/4885KMT2A 4602/4885SLC1A3 3768/4885

“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.