SCHEMBL4498939

SCHEMBL4498939

Cc1c(C(C2=C(O)[C@@](C)(c3ccccc3)NC2=O)c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
DDO Q99489 1/20 0.39
MLKL Q8NB16 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 3/20 0.34
HSD17B10 Q99714 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP19A1 P11511 1/20 0.34
PARP1 P09874 1/20 0.33
AHR P35869 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL4498943 1.00 DAO (0.39) DAODDOMLKLKMT2AMEN1
SCHEMBL4497132 0.89 MLKL (0.52) MLKLKMT2AMEN1POLBTP53
SCHEMBL4501754 0.89 MLKL (0.41) MLKLKMT2AMEN1TP53ALDH1A1
SCHEMBL4497140 0.89 MLKL (0.52) MLKLKMT2AMEN1POLBTP53
SCHEMBL4501760 0.89 MLKL (0.41) MLKLKMT2AMEN1TP53ALDH1A1
SCHEMBL4507086 0.88 OPRM1 (0.40) MLKLKMT2AMEN1OPRM1OPRL1
SCHEMBL4507089 0.88 OPRM1 (0.40) MLKLKMT2AMEN1OPRM1OPRL1
SCHEMBL3287746 0.82 DAO (0.41) DAODDOMLKLKMT2AMEN1
SCHEMBL4501329 0.80 DAO (0.39) DAODDOMLKLKMT2AMEN1
SCHEMBL3280623 0.77 MLKL (0.41) DAODDOMLKLKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 DAO 450/4885DDO 699/4885MLKL 3770/4885

“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.