SCHEMBL4363281

SCHEMBL4363281

CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OCc3ccccn3)cc21

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.78
▸ CFD P00746 2/20 0.37
▸ RAF1 P04049 3/20 0.35
▸ MAP2K1 Q02750 3/20 0.35
▸ KMO O15229 2/20 0.34
▸ PLA2G4A P47712 2/20 0.34
▸ MRGPRX4 Q96LA9 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ SYK P43405 2/20 0.33
▸ CTSV O60911 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ INCENP Q9NQS7 1/20 0.33
▸ P2RX4 Q99571 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
SCHEMBL4368097 0.91 METTL3 (0.82) METTL3CFDMRGPRX4TP53HTT
SCHEMBL4360710 0.89 METTL3 (0.77) METTL3CFDMRGPRX4
SCHEMBL3118276 0.88 METTL3 (0.85) METTL3CFDMRGPRX4TP53HTT
SCHEMBL3118267 0.88 METTL3 (0.85) METTL3CFDMRGPRX4TP53HTT
Elvitegravir SCHEMBL29623981 0.88 METTL3 (1.00) METTL3PLA2G4ATP53
Elvitegravir SCHEMBL13225651 0.88 METTL3 (1.00) METTL3PLA2G4ATP53
Elvitegravir SCHEMBL726251 0.88 METTL3 (1.00) METTL3PLA2G4ATP53
Elvitegravir SCHEMBL726252 0.88 METTL3 (1.00) METTL3PLA2G4ATP53
SCHEMBL4374954 0.88 METTL3 (0.75) METTL3
SCHEMBL4363570 0.88 METTL3 (0.81) METTL3CFDPLA2G4AMRGPRX4HTT

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 1260/4885CFD 4510/4885RAF1 3242/4885

“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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