SCHEMBL10223079

SCHEMBL10223079

CC(C)(C)OC(=O)Nc1ccc2c(c1)cc(-c1ccc(-c3cnc([C@@H]4CCCN4C(=O)OCc4ccccc4)[nH]3)cc1)n2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 10/20 0.44
NR1H2 P55055 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
KCNH2 Q12809 2/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGDS O60760 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL10173370 0.89 PRCP (0.49) PRCPNR1H2HPGDS
SCHEMBL2709131 0.88 PRCP (0.54) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL205196 0.88 PRCP (0.54) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL10223085 0.87 PRCP (0.40) PRCPNR1H2KDM4ELMNA
SCHEMBL205205 0.86 PRCP (0.54) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL2707511 0.86 PRCP (0.54) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL10224254 0.84 POLB (0.43) NR1H2KDM4ELMNA
SCHEMBL10076571 0.82 PRCP (0.59) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL10223100 0.82 KDM4E (0.49) PRCPKDM4ELMNA
SCHEMBL10223799 0.82 KDM4E (0.49) PRCPKDM4ELMNA

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-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRCP 543/4885NR1H2 477/4885CYP3A4 1646/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRCP 543/4885NR1H2 477/4885CYP3A4 1646/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRCP 543/4885NR1H2 477/4885CYP3A4 1646/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRCP 543/4885NR1H2 477/4885CYP3A4 1646/4885

“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.