SCHEMBL4364898

SCHEMBL4364898

CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OCC(=O)O)cc21

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.84
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ NR1H4 Q96RI1 2/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ MRGPRX4 Q96LA9 3/20 0.33
▸ PLA2G4A P47712 1/20 0.32
▸ CFD P00746 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ELANE P08246 3/20 0.32
▸ F2 P00734 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL3118276 0.93 METTL3 (0.85) METTL3MRGPRX4CFDMAPTGAA
SCHEMBL3118267 0.93 METTL3 (0.85) METTL3MRGPRX4CFDMAPTGAA
SCHEMBL4370951 0.92 METTL3 (0.79) METTL3MRGPRX4CFD
SCHEMBL4364905 0.92 METTL3 (0.84) METTL3MRGPRX4CFDMAPT
SCHEMBL4372591 0.92 METTL3 (0.84) METTL3MRGPRX4CFDMAPT
SCHEMBL4366642 0.91 METTL3 (0.82) METTL3MRGPRX4CFDMAPTGAA
SCHEMBL4368097 0.91 METTL3 (0.82) METTL3MRGPRX4CFDMAPTHTT
SCHEMBL4359720 0.91 METTL3 (0.82) METTL3MRGPRX4CFDMAPTGAA
Elvitegravir SCHEMBL726251 0.91 METTL3 (1.00) METTL3PLA2G4AMAPTGAA
Elvitegravir SCHEMBL13225651 0.91 METTL3 (1.00) METTL3PLA2G4AMAPTGAA

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-7531554-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2009-05-12 — — US claimed
US-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-01-26 — — US claimed
US-7531554-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2009-05-12 — — US disclosed
US-7531554-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2009-05-12 — — US disclosed
US-7531554-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2009-05-12 — — US disclosed
US-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-01-26 — — 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 (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-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, PIP4K2B, IMPDH2 METTL3 1260/4885PTGDR2 4698/4885NR1H4 3298/4885

“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.

Send feedback