SCHEMBL6077329

SCHEMBL6077329

CC[C@@H](NC(=O)C(CC(=O)N1CCOCC1)CC(C)(C)Cc1ccccc1)C(=O)c1nc(-c2ccccc2)no1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.41
CTSL P07711 4/20 0.41
CTSK P43235 4/20 0.41
REN P00797 6/20 0.40
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PIN1 Q13526 1/20 0.37

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
SCHEMBL8361671 1.00 CTSS (0.41) CTSSCTSLCTSKRENHDAC4
SCHEMBL6077337 0.92 CTSS (0.43) CTSSCTSLCTSKRENHDAC4
SCHEMBL8360108 0.92 CTSS (0.43) CTSSCTSLCTSKRENHDAC4
SCHEMBL6077352 0.89 CTSS (0.40) CTSSCTSLCTSKREN
SCHEMBL14563109 0.88 CTSS (0.48) CTSSCTSLCTSKRENNPC1
SCHEMBL5418218 0.85 REN (0.40) CTSSCTSLCTSKRENHDAC4
SCHEMBL5955016 0.85 REN (0.40) CTSSCTSLCTSKRENHDAC4
SCHEMBL5955164 0.85 REN (0.40) CTSSCTSLCTSKRENHDAC4
Benzene SCHEMBL5955172 0.85 CYP1A2 (0.40) CTSSCTSLCTSKRENHDAC4
Benzene SCHEMBL5955023 0.85 CYP1A2 (0.40) CTSSCTSLCTSKRENHDAC4

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 3 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
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.