SCHEMBL2632366

SCHEMBL2632366

COC(=O)c1cccc2c1[nH]c(=O)n2C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
DAO P14920 3/20 0.40
NR4A2 P43354 2/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PGR P06401 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CFTR P13569 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
GSK3B P49841 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL1654671 0.85 CLEC4M (0.48) POLBDAOLMNATSHRKDM4E
SCHEMBL806063 0.83 POLB (0.50) POLBDAOPGR
SCHEMBL1656819 0.83 POLB (0.50) POLBDAOPGRHSD17B10
SCHEMBL806066 0.82 POLB (0.43) POLBDAOKDM4EPGR
SCHEMBL12793451 0.80 MAPT (0.39) POLBDAONR4A2LMNAKDM4E
SCHEMBL1654678 0.79 POLB (0.49) POLBDAOPGRALDH1A1KMT2A
SCHEMBL12794035 0.78 MEN1 (0.48) DAONR4A2PIM1PIM3LMNA
SCHEMBL12730509 0.77 POLB (0.42) POLBDAOPGR
SCHEMBL2632476 0.77 POLB (0.40) POLBDAONR4A2LMNAKDM4E
SCHEMBL12792523 0.77 DAO (0.63) POLBDAOLMNATSHRKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 WO 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 (2 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 POLB 399/4885DAO 2853/4885NR4A2 1708/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 POLB 523/4885DAO 2850/4885NR4A2 2336/4885

“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.