SCHEMBL4778490

SCHEMBL4778490

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

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.83
PLA2G4A P47712 5/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
LTB4R Q15722 1/20 0.36
EGFR P00533 3/20 0.36
POLB P06746 1/20 0.36
CMA1 P23946 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4777023 1.00 METTL3 (0.83) METTL3PLA2G4AMAPTGAATP53
SCHEMBL1044577 0.93 METTL3 (0.86) METTL3PLA2G4AMAPTGAATP53
SCHEMBL1044579 0.93 METTL3 (0.86) METTL3PLA2G4AMAPTGAATP53
Elvitegravir SCHEMBL29623981 0.91 METTL3 (1.00) METTL3PLA2G4AMAPTGAATP53
Elvitegravir SCHEMBL726251 0.91 METTL3 (1.00) METTL3PLA2G4AMAPTGAATP53
Elvitegravir SCHEMBL726252 0.91 METTL3 (1.00) METTL3PLA2G4AMAPTGAATP53
Elvitegravir SCHEMBL13225651 0.91 METTL3 (1.00) METTL3PLA2G4AMAPTGAATP53
SCHEMBL15068363 0.90 METTL3 (0.86) METTL3PLA2G4AMAPTGAATP53
SCHEMBL1042832 0.90 METTL3 (0.86) METTL3PLA2G4AMAPTGAATP53
SCHEMBL17341018 0.90 METTL3 (0.78) METTL3PLA2G4AMAPTGAATP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1978960-A1 USE OF 6-(3-CHLORO-2-FLUOROBENZYL)-1-Ý(2S)-1-HYDROXY-3-METHYLBUTAN-2-YL¨-7-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID OR SALT THEREOF FOR TREATING RETROVIRUS INFECTION JAPAN TOBACCO INC. (JP) 2008-10-15 EP claimed
WO-2007089030-A1 USE OF 6-(3-CHLORO-2-FLUOROBENZYL)-1-[(2S)-1-HYDROXY-3-METHYLBUTAN-2-YL]-7-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID OR SALT THEREOF FOR TREATING RETROVIRUS INFECTION JAPAN TOBACCO INC. (JP) 2007-08-09 WO claimed
US-20140343063-A1 METHOD OF TREATING A VIRAL INFECTION USING ELVITEGRAVIR COMBINATIONS GILEAD SCIENCES, INC. (US) 2014-11-20 US disclosed
EP-1978960-A1 USE OF 6-(3-CHLORO-2-FLUOROBENZYL)-1-Ý(2S)-1-HYDROXY-3-METHYLBUTAN-2-YL¨-7-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID OR SALT THEREOF FOR TREATING RETROVIRUS INFECTION JAPAN TOBACCO INC. (JP) 2008-10-15 EP disclosed
WO-2007089030-A1 USE OF 6-(3-CHLORO-2-FLUOROBENZYL)-1-[(2S)-1-HYDROXY-3-METHYLBUTAN-2-YL]-7-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID OR SALT THEREOF FOR TREATING RETROVIRUS INFECTION JAPAN TOBACCO INC. (JP) 2007-08-09 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 (1 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-20140343063-A1 METHOD OF TREATING A VIRAL INFECTION USING ELVITEGRAVIR COMBINATIONS CYP3A43, CYP3A7, CYP3A5 METTL3 736/4885PLA2G4A 3969/4885MAPT 4331/4885

“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.