SCHEMBL6628343

SCHEMBL6628343

CCC[C@H](NC(=O)[C@H](CS(=O)(=O)CC1CC1)NC(=O)OC(C)(C)C)C(O)c1nc2ccccc2o1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
SCN9A Q15858 3/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP13 P45452 2/20 0.35
CTSL P07711 1/20 0.34
BACE1 P56817 3/20 0.34
RAB9A P51151 1/20 0.34
REN P00797 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
SCHEMBL6627857 1.00 ACACB (0.36) ACACBCTSKCTSSSCN9ACYP3A4
SCHEMBL6628340 1.00 ACACB (0.36) ACACBCTSKCTSSSCN9ACYP3A4
SCHEMBL6062065 0.92 CTSS (0.41) ACACBCTSKCTSSSCN9AL3MBTL1
SCHEMBL6062062 0.92 CTSS (0.41) ACACBCTSKCTSSSCN9AL3MBTL1
SCHEMBL6062057 0.92 CTSS (0.41) ACACBCTSKCTSSSCN9AL3MBTL1
SCHEMBL6696297 0.92 CTSS (0.41) ACACBCTSKCTSSSCN9AL3MBTL1
SCHEMBL6630492 0.88 MAPT (0.42) CTSKCTSSL3MBTL1MEN1KMT2A
SCHEMBL6651056 0.88 MAPT (0.42) CTSKCTSSL3MBTL1MEN1KMT2A
SCHEMBL6630490 0.88 MAPT (0.42) CTSKCTSSL3MBTL1MEN1KMT2A
SCHEMBL6697796 0.88 MAPT (0.42) CTSKCTSSL3MBTL1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE ACACB 1412/4885CTSK 8/4885CTSS 1/4885

“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.