SCHEMBL13531015

SCHEMBL13531015

COc1ccc2c(c1)C=C(C(=O)O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)CC(C)(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 8/20 0.43
KCNH2 Q12809 7/20 0.42
CYP3A4 P08684 3/20 0.41
SCN5A Q14524 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
SCN9A Q15858 1/20 0.36

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
SCHEMBL4498396 0.90 NR1I2 (0.45) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL51368 0.88 NR1I2 (0.42) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL3365767 0.88 NR1I2 (0.46) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14900142 0.88 NR1I2 (0.44) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL841197 0.85 NR1I2 (0.44) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL50267 0.84 NR1I2 (0.52) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL50717 0.84 NR1I2 (0.46) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL50868 0.84 KCNH2 (0.56) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL642026 0.83 NR1I2 (0.63) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL703081 0.83 KCNH2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors JANSSEN R&D IRELAND (IL) 2014-04-17 US disclosed
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors JANSSEN R&D IRELAND (IL) 2014-04-17 US disclosed
US-7652004-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-7652004-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20090074715-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090074715-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 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 (2 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-20090074715-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885KCNH2 3808/4885CYP3A4 214/4885
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors IDO1, HCCS, CCNI NR1I2 234/4885KCNH2 921/4885CYP3A4 91/4885

“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.