SCHEMBL10240087

SCHEMBL10240087

CC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(OC(C)C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
ANO1 Q5XXA6 2/20 0.37
XDH P47989 1/20 0.37
CTSB P07858 2/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TTR P02766 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3534077 0.92 ANO1 (0.45) PDK1ANO1XDHKDM4EALDH1A1
SCHEMBL2301053 0.90 L3MBTL1 (0.40) PDK1ANO1XDHKDM4EALDH1A1
SCHEMBL1918087 0.89 L3MBTL1 (0.40) PDK1
SCHEMBL3535937 0.88 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL27952569 0.86 PDK1 (0.38) PDK1XDHCTSBKDM4EALDH1A1
SCHEMBL15153654 0.84 ANO1 (0.38) PDK1ANO1XDHKDM4EALDH1A1
SCHEMBL15153651 0.84 ANO1 (0.38) PDK1ANO1XDHKDM4EALDH1A1
SCHEMBL15153779 0.84 PDK1 (0.34) PDK1ANO1XDHTTRPOLB
SCHEMBL27952570 0.84 PDK1 (0.40) PDK1ANO1XDHALDH1A1TTR
SCHEMBL2297483 0.84 PTGS2 (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722688-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-8148382-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 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 (4 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-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PDK1 2171/4885ANO1 1786/4885XDH 51/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PDK1 2171/4885ANO1 1786/4885XDH 51/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 PDK1 2171/4885ANO1 1786/4885XDH 51/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PDK1 2171/4885ANO1 1786/4885XDH 51/4885

“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.