SCHEMBL1734178

SCHEMBL1734178

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 7/20 0.58
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN9A Q15858 3/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNH2 Q12809 5/20 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
SCHEMBL1735478 0.94 NR1I2 (0.56) NR1I2PRKCAMMP12ALDH1A1NPSR1
SCHEMBL13939957 0.94 NR1I2 (0.56) NR1I2PRKCAMMP12ALDH1A1NPSR1
SCHEMBL13114048 0.94 NR1I2 (0.56) NR1I2PRKCAMMP12ALDH1A1NPSR1
SCHEMBL14004107 0.94 NR1I2 (0.56) NR1I2PRKCAMMP12ALDH1A1NPSR1
SCHEMBL752222 0.93 NR1I2 (0.54) NR1I2PRKCAMMP12ALDH1A1NPSR1
SCHEMBL13936865 0.92 NR1I2 (0.58) NR1I2PRKCAMMP12ALDH1A1NPSR1
SCHEMBL14004110 0.92 NR1I2 (0.56) NR1I2PRKCAMMP12ALDH1A1NPSR1
SCHEMBL14253206 0.91 NR1I2 (0.65) NR1I2PRKCAMMP12ALDH1A1NPSR1
SCHEMBL14567696 0.91 NR1I2 (0.65) NR1I2PRKCAMMP12ALDH1A1NPSR1
SCHEMBL13936870 0.91 NR1I2 (0.52) NR1I2PRKCAMMP12ALDH1A1NPSR1

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
EP-2118109-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-03 US disclosed
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-13 US disclosed
EP-2114947-B1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
EP-2114947-B1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-07-04 US disclosed
EP-2118110-B1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-07-25 EP disclosed
US-20110311480-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-22 US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
WO-2007033032-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
WO-2007033032-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 US disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 US disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO 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 (7 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-20110311480-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS NR1I2 298/4885PRKCA 3901/4885MMP12 4103/4885
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS NR1I2 298/4885PRKCA 3901/4885MMP12 4103/4885
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885PRKCA 3639/4885MMP12 4396/4885
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS NR1I2 298/4885PRKCA 3901/4885MMP12 4103/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 NR1I2 1013/4885PRKCA 3479/4885MMP12 3512/4885
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS NR1I2 298/4885PRKCA 3901/4885MMP12 4103/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 NR1I2 1013/4885PRKCA 3479/4885MMP12 3512/4885

“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.