SCHEMBL5447012

SCHEMBL5447012

N[C@@H](CS(=O)(=O)Cc1ccccc1)C(=O)NC1C(O)CCCC1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
F2 P00734 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
OPRK1 P41145 1/20 0.36
CCR4 P51679 1/20 0.36
XIAP P98170 1/20 0.36
KMT2A Q03164 1/20 0.36

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 0.84 XIAP (0.40) ALDH1A1HPGDHSD17B10SLC1A3SLC1A2
SCHEMBL5436099 0.81 GBA1 (0.39) ALDH1A1HPGDF2SLC1A3SLC1A2
SCHEMBL6559792 0.80 USP2 (0.39) ALDH1A1HPGDUSP2HSD17B10F2
SCHEMBL5441985 0.78 XIAP (0.39) ALDH1A1HPGDHSD17B10SLC1A3SLC1A2
SCHEMBL5435042 0.77
SCHEMBL6848129 0.76 CTSS (0.53)
SCHEMBL5440024 0.75 KMT2A (0.43) NPC1RAB9AKMT2A
SCHEMBL5439990 0.74 CTSK (0.48)
SCHEMBL4430587 0.73 ALPI (0.56) ALDH1A1HPGDHSD17B10F2SLC1A3
SCHEMBL5438727 0.72 CTSK (0.46) OPRK1XIAPKMT2A

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 disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US disclosed
EP-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO 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 1476/4885USP2 517/4885

“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.