SCHEMBL6077896

SCHEMBL6077896

CCc1nc(C(=O)[C@H](CC)NC(=O)[C@@H](CC(=O)N2CCOCC2)CC(C)(C)Cc2ccccc2OC(F)F)no1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.37
CTSL P07711 11/20 0.37
CTSK P43235 9/20 0.37
REN P00797 1/20 0.35
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6078504 0.86 CTSS (0.41) CTSSCTSLCTSKREN
SCHEMBL6076791 0.82 CTSS (0.42) CTSSCTSLCTSKNPC1MAPT
SCHEMBL6077861 0.81 CTSS (0.38) CTSSCTSLCTSKRENNPC1
SCHEMBL6077348 0.78 CTSS (0.44) CTSSCTSLCTSKREN
SCHEMBL6077978 0.78 CTSS (0.37) CTSSCTSLCTSKREN
SCHEMBL5955850 0.78 MEN1 (0.41) CTSSCTSLCTSKNPC1MAPT
SCHEMBL5955840 0.78 MEN1 (0.41) CTSSCTSLCTSKNPC1MAPT
Benzene SCHEMBL5954861 0.76 CTSS (0.36) CTSSCTSLCTSKRENMAPT
SCHEMBL6282206 0.76 CTSS (0.39) CTSSCTSLCTSKREN
SCHEMBL5954856 0.76 CTSS (0.39) CTSSCTSLCTSKREN

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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US claimed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US 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 (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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSL 11/4885CTSK 8/4885

“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.