SCHEMBL1496401

SCHEMBL1496401

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G5 P39877 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
FPR2 P25090 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL13049755 1.00 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CYP2D6CYP2C19POLB
SCHEMBL7465674 0.83 LMNA (0.33) ALDH1A1SMN1; SMN2CYP2D6CYP2C19LMNA
SCHEMBL7465668 0.83 LMNA (0.33) ALDH1A1SMN1; SMN2CYP2D6CYP2C19LMNA
SCHEMBL9717667 0.81 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2POLBLMNAGAA
SCHEMBL8752641 0.81 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2POLBLMNAGAA
SCHEMBL14389451 0.81 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2POLBLMNAGAA
SCHEMBL13049754 0.79 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2CYP2D6CYP2C19LMNA
SCHEMBL19486077 0.79 CCR1 (0.36) ALDH1A1SMN1; SMN2POLBGAACA12
SCHEMBL12537188 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CA12CA14KDM4E
SCHEMBL12536965 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CA12CA14KDM4E

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-2483290-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2012-08-08 EP disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 ALDH1A1 1769/4885SMN1; SMN2 3157/4885CYP2D6 1029/4885

“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.