SCHEMBL5163314

SCHEMBL5163314

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.60
CTSK P43235 6/20 0.60
HDAC8 Q9BY41 1/20 0.59
BCL2 P10415 2/20 0.53
MCL1 Q07820 1/20 0.53
CTSB P07858 2/20 0.53
CTSL P07711 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
SSTR3 P32745 1/20 0.49
USP30 Q70CQ3 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48

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
SCHEMBL6409791 1.00 CTSS (0.60) CTSSCTSKHDAC8BCL2MCL1
SCHEMBL6803437 0.95 HDAC8 (0.64) CTSSCTSKHDAC8BCL2MCL1
SCHEMBL6803446 0.95 HDAC8 (0.64) CTSSCTSKHDAC8BCL2MCL1
SCHEMBL3008259 0.95 HDAC8 (0.59) CTSSCTSKHDAC8CTSBCTSL
SCHEMBL3008254 0.95 HDAC8 (0.59) CTSSCTSKHDAC8CTSBCTSL
SCHEMBL27744372 0.91 CYP17A1 (0.53) CTSSCTSKHDAC8BCL2MCL1
SCHEMBL18444304 0.90 PPARG (0.57) CTSSCTSKHDAC8BCL2MCL1
SCHEMBL28586432 0.90 PPARG (0.57) CTSSCTSKHDAC8BCL2MCL1
SCHEMBL18444303 0.90 PPARG (0.57) CTSSCTSKHDAC8BCL2MCL1
SCHEMBL18474966 0.88 PPARG (0.55) CTSSCTSKHDAC8CTSBCTSL

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
EP-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP disclosed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed
US-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS 2005-12-15 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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases LDLR, NPC1L1, CETP CTSS 2187/4885CTSK 1834/4885HDAC8 1348/4885

“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.