SCHEMBL4362566

SCHEMBL4362566

CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OCc3ccc(C(N)=O)cc3)cc21

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.75
▸ MRGPRX4 Q96LA9 2/20 0.37
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CFD P00746 4/20 0.34
▸ GAA P10253 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK14 Q16539 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
SCHEMBL4364881 0.95 METTL3 (0.78) METTL3MRGPRX4TP53MAPTCFD
SCHEMBL4368097 0.94 METTL3 (0.82) METTL3MRGPRX4TP53MAPTCFD
SCHEMBL4364717 0.90 METTL3 (0.73) METTL3MRGPRX4CFDGAAPTGER1
SCHEMBL4360710 0.90 METTL3 (0.77) METTL3MRGPRX4CFDPTGER1
SCHEMBL4363275 0.90 METTL3 (0.74) METTL3MRGPRX4
SCHEMBL3118276 0.87 METTL3 (0.85) METTL3MRGPRX4TP53MAPTCFD
SCHEMBL3118267 0.87 METTL3 (0.85) METTL3MRGPRX4TP53MAPTCFD
SCHEMBL4374954 0.87 METTL3 (0.75) METTL3
SCHEMBL13861885 0.87 METTL3 (0.81) METTL3MRGPRX4TP53MAPTCFD
SCHEMBL4364905 0.87 METTL3 (0.84) METTL3MRGPRX4MAPTCFD

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 1260/4885MRGPRX4 3708/4885TP53 2859/4885

“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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