SCHEMBL5954938

SCHEMBL5954938

CC[C@H](NC(=O)C(CC(=O)N1CCOCC1)C(Cc1ccccc1)C1CC1)C(=O)c1nc(C2CC2)no1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
REN P00797 12/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
MMP8 P22894 1/20 0.35
CTSS P25774 1/20 0.35
PSMB8 P28062 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
SCHEMBL5955882 0.87 LDHA (0.33) LDHARENCTSLCTSS
SCHEMBL5955186 0.87 POLB (0.35) LDHARENCTSS
SCHEMBL5955794 0.84 REN (0.37) RENCTSLCTSBMMP8CTSS
SCHEMBL5955233 0.82 POLB (0.33) LDHACPT2CPT1A
SCHEMBL6077352 0.82 CTSS (0.40) LDHARENCTSLCTSS
SCHEMBL5954931 0.81 CTSS (0.39) LDHARENCTSLCTSS
SCHEMBL5955036 0.79 CTSS (0.44) RENCTSS
SCHEMBL5426325 0.77 CYP1A2 (0.37) REN
SCHEMBL13937553 0.76 CTSS (0.45) CTSLCTSBCTSSPSMB8
SCHEMBL5955884 0.76 CTSS (0.34) RENCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US claimed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP claimed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO claimed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US claimed
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US disclosed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE LDHA 1898/4885REN 186/4885GAA 21/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE LDHA 1898/4885REN 186/4885GAA 21/4885

“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.