SCHEMBL10242345

SCHEMBL10242345

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(C)=O)c(OC)cc3C)c(F)c12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 6/20 0.53
KCNH2 Q12809 3/20 0.53
CYP3A4 P08684 5/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1I2 O75469 1/20 0.38
CA9 Q16790 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 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
SCHEMBL1919069 0.93 CYP2C8 (0.53) CYP2C8KCNH2CYP3A4MAPTTP53
SCHEMBL144688 0.93 CYP2C8 (0.53) CYP2C8KCNH2CYP3A4MAPTTP53
SCHEMBL18751750 0.92 CYP2C8 (0.52) CYP2C8KCNH2CYP3A4MAPTTP53
SCHEMBL18751755 0.91 CYP2C8 (0.55) CYP2C8KCNH2CYP3A4MAPTKDM4E
SCHEMBL10242360 0.90 CYP2C8 (0.58) CYP2C8KCNH2CYP3A4MAPTTP53
SCHEMBL1918814 0.90 CYP2C8 (0.50) CYP2C8KCNH2CYP3A4MAPTTP53
SCHEMBL1919284 0.90 CYP2C8 (0.50) CYP2C8KCNH2CYP3A4MAPTTP53
SCHEMBL254263 0.89 CYP2C8 (0.49) CYP2C8KCNH2CYP3A4MAPTTP53
SCHEMBL12447846 0.86 CYP2C8 (0.52) CYP2C8KCNH2CYP3A4MAPTKDM4E
SCHEMBL1919338 0.86 CYP2C8 (0.57) CYP2C8KCNH2CYP3A4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096580-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-04 US disclosed
US-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-05-21 US disclosed
US-8507683-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 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-20120309770-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 CYP2C8 56/4885KCNH2 3615/4885CYP3A4 125/4885
US-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 85/4885KCNH2 3814/4885CYP3A4 299/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 85/4885KCNH2 3814/4885CYP3A4 299/4885
US-20120309770-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 85/4885KCNH2 3814/4885CYP3A4 299/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 CYP2C8 85/4885KCNH2 3814/4885CYP3A4 299/4885

“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.