SCHEMBL6077178

SCHEMBL6077178

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nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.45
CTSK P43235 11/20 0.45
HDAC4 P56524 5/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CTSL P07711 9/20 0.38

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
SCHEMBL6077348 0.89 CTSS (0.44) CTSSCTSKHDAC4HDAC6HDAC1
Benzene SCHEMBL5955881 0.87 HDAC4 (0.40) CTSSCTSKHDAC4HDAC6HDAC1
SCHEMBL5955011 0.87 CTSS (0.52) CTSSCTSKCTSL
SCHEMBL5955013 0.87 CTSS (0.52) CTSSCTSKCTSL
SCHEMBL6076791 0.87 CTSS (0.42) CTSSCTSKCTSL
SCHEMBL5955869 0.83 CTSS (0.42) CTSSCTSKHDAC4HDAC6HDAC1
SCHEMBL6081794 0.83 CTSS (0.43) CTSSCTSKHDAC6HDAC1HDAC8
SCHEMBL6081796 0.83 CTSS (0.43) CTSSCTSKHDAC6HDAC1HDAC8
SCHEMBL6077861 0.81 CTSS (0.38) CTSSCTSKCTSL
SCHEMBL5955872 0.79 HDAC6 (0.39) CTSSCTSKHDAC4HDAC6HDAC1

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 1/4885CTSK 8/4885HDAC4 592/4885

“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.