SCHEMBL8084002

SCHEMBL8084002

CC(C)C(=O)[C@@H](CC(=O)NC(C)(C)C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HDAC2 Q92769 1/20 0.39
POLB P06746 2/20 0.35
PIK3CD O00329 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
TRPA1 O75762 1/20 0.31
ECE1 P42892 1/20 0.31
KDM1A O60341 1/20 0.30
TSHR P16473 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8083031 0.79 MAPT (0.42) MAPTHDAC2POLBPIK3CDSMN1; SMN2
SCHEMBL8277450 0.79 MAPT (0.46) MAPTHDAC2POLBPIK3CDSMN1; SMN2
SCHEMBL20349694 0.79 MAPT (0.42) MAPTHDAC2POLBPIK3CDSMN1; SMN2
SCHEMBL13385188 0.79 MAPT (0.46) MAPTHDAC2POLBPIK3CDSMN1; SMN2
SCHEMBL24568173 0.77 MAPT (0.43) MAPTHDAC2POLBPIK3CDSMN1; SMN2
SCHEMBL16139219 0.77 MAPT (0.43) MAPTHDAC2POLBPIK3CDSMN1; SMN2
SCHEMBL8013070 0.76 MAPT (0.46) MAPTHDAC2POLBPIK3CDSMN1; SMN2
SCHEMBL18272884 0.76 HDAC2 (0.42) MAPTHDAC2POLBSMN1; SMN2ALDH1A1
SCHEMBL21734331 0.76 MAPT (0.44) MAPTHDAC2POLBPIK3CDSMN1; SMN2
SCHEMBL14038364 0.76 HDAC2 (0.42) MAPTHDAC2POLBSMN1; SMN2ALDH1A1

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-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
WO-2008134398-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-11-06 WO 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-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS DPP4, PREP, PEPD MAPT 4377/4885HDAC2 2383/4885POLB 2455/4885

“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.