SCHEMBL4563141

SCHEMBL4563141

CC(NC(=O)OC(C)(C)C)C(=S)n1c(=O)[nH]c2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
B3GNT2 Q9NY97 2/20 0.39
MPO P05164 2/20 0.39
XDH P47989 1/20 0.39
EPHX2 P34913 1/20 0.38
PGR P06401 2/20 0.37
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL5069613 1.00 DAO (0.41) DAOB3GNT2MPOXDHEPHX2
SCHEMBL9256288 0.74 EPHX2 (0.43) DAOB3GNT2EPHX2
SCHEMBL9256291 0.74 EPHX2 (0.43) DAOB3GNT2EPHX2
SCHEMBL21464105 0.69 DAO (0.52) DAOGABRA1GABRG2GABRB3GABRA5
SCHEMBL8947417 0.69 DAO (0.63) DAOPGRGABRA1GABRG2GABRB3
SCHEMBL23997292 0.68 HDAC1 (0.45) DAOB3GNT2EPHX2MAPT
SCHEMBL30345124 0.68 HDAC1 (0.45) DAOB3GNT2EPHX2MAPT
SCHEMBL30695656 0.66 TRPA1 (0.45) EPHX2KDM4EGLAGAAMAPT
SCHEMBL21180491 0.65 TRPA1 (0.48) EPHX2KDM4EGLAGAAMAPT
SCHEMBL3871050 0.65 TRPA1 (0.48) EPHX2KDM4EGLAGAAMAPT

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-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 DAO 336/4885B3GNT2 4548/4885MPO 1980/4885

“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.