SCHEMBL1104875

SCHEMBL1104875

COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(C)=O)cn2[C@H](CO)C(C)C

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.88
GAA P10253 1/20 0.38
EGFR P00533 9/20 0.37
MAPT P10636 1/20 0.36
CFD P00746 6/20 0.36
PLA2G4A P47712 1/20 0.35

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
SCHEMBL19829420 1.00 METTL3 (0.88) METTL3GAAEGFRMAPTCFD
SCHEMBL13693054 0.94 METTL3 (0.86) METTL3GAAEGFRMAPTPLA2G4A
SCHEMBL13942147 0.94 METTL3 (0.86) METTL3GAAEGFRMAPTPLA2G4A
SCHEMBL13596336 0.93 METTL3 (0.77) METTL3GAAEGFRMAPTCFD
Elvitegravir SCHEMBL29623981 0.93 METTL3 (1.00) METTL3GAAEGFRMAPTPLA2G4A
Elvitegravir SCHEMBL726251 0.93 METTL3 (1.00) METTL3GAAEGFRMAPTPLA2G4A
Elvitegravir SCHEMBL726252 0.93 METTL3 (1.00) METTL3GAAEGFRMAPTPLA2G4A
Elvitegravir SCHEMBL13225651 0.93 METTL3 (1.00) METTL3GAAEGFRMAPTPLA2G4A
SCHEMBL11948686 0.93 METTL3 (0.76) METTL3GAAEGFRMAPTCFD
Elvitegravir SCHEMBL1050769 0.93 METTL3 (0.98) METTL3GAAEGFRMAPTPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150810-A1 TABLETS FOR COMBINATION THERAPY GILEAD SCIENCES, INC. (US) 2015-06-04 US disclosed
US-8796459-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2014-08-05 US disclosed
US-8759525-B2 Process and intermediates for preparing integrase inhibitors Gilhead Sciences, Inc. (US) 2014-06-24 US disclosed
US-8633219-B2 Combination therapy JAPAN TOBACCO INC. (JP) 2014-01-21 US disclosed
US-20130253200-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-09-26 US disclosed
US-20130203791-A1 Tablets and Preparation Thereof ABBVIE INC (US) 2013-08-08 US disclosed
US-8440831-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
US-20130116437-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-05-09 US disclosed
US-8420821-B2 Process for production of 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-04-16 US disclosed
US-8383819-B2 Method for producing 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-02-26 US disclosed
US-8153801-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2012-04-10 US disclosed
US-20110160458-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-06-30 US disclosed
US-20100292480-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC (US) 2010-11-18 US disclosed
US-20100285122-A1 TABLETS FOR COMBINATION THERAPY GILEAD SCIENCES, INC. (US) 2010-11-11 US disclosed
US-7825252-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2010-11-02 US disclosed
US-20090233964-A1 METHODS FOR IMPROVING THE PHARMACOKINETICS OF HIV INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-09-17 US disclosed
US-20090099366-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-04-16 US disclosed
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-02-05 US disclosed
US-20080125594-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-05-29 US disclosed
US-20070219243-A1 Method for improving the pharmacokinetics of HIV integrase inhibitors JAPAN TOBACCO, INC. (JP) 2007-09-20 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 (11 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-20090099366-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB METTL3 2511/4885GAA 1763/4885EGFR 4014/4885
US-20090233964-A1 METHODS FOR IMPROVING THE PHARMACOKINETICS OF HIV INTEGRASE INHIBITORS APOBEC3C, TMPRSS15, APOBEC3G METTL3 2482/4885GAA 249/4885EGFR 3430/4885
US-20130116437-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB METTL3 2511/4885GAA 1763/4885EGFR 4014/4885
US-20080125594-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB METTL3 2511/4885GAA 1763/4885EGFR 4014/4885
US-20100292480-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB METTL3 2511/4885GAA 1763/4885EGFR 4014/4885
US-20100285122-A1 TABLETS FOR COMBINATION THERAPY SLC5A6, SLC5A2, SLC5A1 METTL3 3141/4885GAA 2701/4885EGFR 1663/4885
US-20070219243-A1 Method for improving the pharmacokinetics of HIV integrase inhibitors SI, APOBEC3C, TMPRSS15 METTL3 2682/4885GAA 251/4885EGFR 3370/4885
US-20150150810-A1 TABLETS FOR COMBINATION THERAPY SLC5A6, SLC5A2, SLC5A1 METTL3 3141/4885GAA 2701/4885EGFR 1663/4885
US-20110160458-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB METTL3 2511/4885GAA 1763/4885EGFR 4014/4885
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 METTL3 938/4885GAA 2926/4885EGFR 4526/4885
US-20130253200-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB METTL3 2511/4885GAA 1763/4885EGFR 4014/4885

“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.