SCHEMBL1654671

SCHEMBL1654671

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLEC4M Q9H2X3 1/20 0.48
TSHR P16473 1/20 0.46
KDM4E B2RXH2 5/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.41
DAO P14920 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2632366 0.85 POLB (0.48) TSHRKDM4EPOLBALDH1A1GAA
SCHEMBL798322 0.81 POLB (0.51) KDM4EPOLBDAOMAPT
SCHEMBL806063 0.80 POLB (0.50) POLBDAO
SCHEMBL1656819 0.80 POLB (0.50) POLBHSD17B10DAOMAPK1
SCHEMBL9273037 0.80 TSHR (0.46) CLEC4MTSHRKDM4EPOLBALDH1A1
SCHEMBL2632607 0.79 POLB (0.47) POLBDAO
SCHEMBL1655471 0.78 ATM (0.45) TSHRKDM4EPOLBALDH1A1HPGD
SCHEMBL1654678 0.76 POLB (0.49) POLBALDH1A1HPGDKMT2ADAO
SCHEMBL3795219 0.74 ALDH1A1 (0.51) CLEC4MTSHRKDM4EPOLBALDH1A1
SCHEMBL25352015 0.72 PGR (0.46) KDM4EPOLBALDH1A1GAAKMT2A

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
WO-2012047764-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2012-04-12 WO disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 CLEC4M 781/4885TSHR 4514/4885KDM4E 457/4885

“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.