SCHEMBL752222

SCHEMBL752222

COC(=O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC(C)(C)C)cc3n2C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 8/20 0.54
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
SCN9A Q15858 3/20 0.37
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 4/20 0.34

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
SCHEMBL1734178 0.93 NR1I2 (0.58) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL1804942 0.90 NR1I2 (0.44) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL12620172 0.89 NR1I2 (0.43) NR1I2PRKCAMMP12SCN9ACYP3A4
SCHEMBL1806121 0.89 NR1I2 (0.43) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL51345 0.89 NR1I2 (0.43) NR1I2SCN9ACYP3A4CYP2C19CYP2C9
SCHEMBL13939957 0.88 NR1I2 (0.56) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL1735478 0.88 NR1I2 (0.56) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL13114048 0.87 NR1I2 (0.56) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL13936717 0.87 NR1I2 (0.50) NR1I2PRKCAMMP12SCN9AHDAC1
SCHEMBL14004107 0.87 NR1I2 (0.56) NR1I2PRKCAMMP12SCN9AALDH1A1

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-8138171-B2 Dioxolane and dioxolanone fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-20 US disclosed
US-20110020277-A1 Dioxolane and Dioxolanone Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-27 US disclosed
US-7538102-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-26 US disclosed
US-7485633-B2 RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-03 US disclosed
US-20080226592-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-7399758-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-07-15 US disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 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-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885PRKCA 3639/4885MMP12 4396/4885
US-20080226592-A1 Compounds for the Treatment of Hepatitis C SLC10A1, HAVCR2, OAT NR1I2 158/4885PRKCA 2112/4885MMP12 2054/4885
US-20110020277-A1 Dioxolane and Dioxolanone Fused Indolobenzadiazepine HCV NS5B Inhibitors SQLE, DHX15, FDFT1 NR1I2 194/4885PRKCA 2671/4885MMP12 4164/4885
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885PRKCA 3639/4885MMP12 4396/4885

“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.