SCHEMBL10117911

SCHEMBL10117911

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ HCK P08631 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ MTOR P42345 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ EPHB4 P54760 2/20 0.43
▸ PRKDC P78527 2/20 0.43
▸ PI4KB Q9UBF8 2/20 0.43
▸ HTR6 P50406 1/20 0.37
▸ BUB1 O43683 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ NR1H2 P55055 7/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.33
▸ BCHE P06276 1/20 0.33

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
SCHEMBL19476349 0.90 PIK3CA (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL3835028 0.83 MAPT (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL5482233 0.79 HTR6 (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.79 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL3269495 0.79 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL20875117 0.79 KDM4E (0.34) HTR6NOTUML3MBTL1
SCHEMBL3049915 0.79 MEN1 (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL15818346 0.79 PIK3CA (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL1053699 0.78 KMT2A (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL16199251 0.78 NR1H2 (0.38) NR1H2TUBB1NR1H3

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
WO-2012087976-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-06-28 — — 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 (3 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-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CD 2151/4885ABL1 198/4885EGFR 3021/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CD 2151/4885ABL1 198/4885EGFR 3021/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CD 2151/4885ABL1 198/4885EGFR 3021/4885

“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.

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