SCHEMBL10173015

SCHEMBL10173015

CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(-c3nnc([C@@H]4CCCN4C(=O)OCc4ccccc4)o3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 7/20 0.43
ALDH1A1 P00352 7/20 0.43
LMNA P02545 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
AADAT Q8N5Z0 1/20 0.39
POLB P06746 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL10173019 0.85 MAPT (0.47) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL10173710 0.85 MAPT (0.49) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL17052436 0.85 MAPT (0.49) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL10222687 0.85 NR1H2 (0.43) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL10224254 0.83 POLB (0.43) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL18845562 0.79 HCRTR1 (0.52) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL10173039 0.77 ENPP2 (0.46) MAPTNPSR1ALDH1A1AADATHCRTR1
SCHEMBL10173023 0.76 HCRTR1 (0.47) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL4955775 0.75 ALDH1A1 (0.60) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL4955786 0.75 ALDH1A1 (0.60) MAPTNPSR1TSHRALDH1A1LMNA

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 12 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-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-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-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-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-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
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 MAPT 4456/4885NPSR1 4173/4885TSHR 4483/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885NPSR1 4173/4885TSHR 4483/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885NPSR1 4173/4885TSHR 4483/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885NPSR1 4173/4885TSHR 4483/4885

“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.