SCHEMBL5158182

SCHEMBL5158182

COC(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HDAC8 Q9BY41 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CTSS P25774 3/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51

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
SCHEMBL28603152 0.92 HDAC8 (0.61) USP30CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23486447 0.92 HDAC8 (0.61) USP30CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5160368 0.85 CYP1A2 (0.56) USP30CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3667405 0.84 HDAC8 (0.64) HDAC8CTSSCTSLCTSBCTSK
SCHEMBL3667404 0.84 HDAC8 (0.64) HDAC8CTSSCTSLCTSBCTSK
SCHEMBL23093174 0.83 HDAC8 (0.59) USP30CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23093172 0.83 HDAC8 (0.59) USP30CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21931999 0.83 USP30 (0.55) USP30CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28391653 0.83 MAPT (0.57) USP30CYP3A4CYP2C9CYP2C19CTSL
SCHEMBL28391656 0.83 MAPT (0.57) USP30CYP3A4CYP2C9CYP2C19CTSL

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 USP30 3092/4885CYP1A2 2866/4885CYP3A4 2274/4885

“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.