SCHEMBL4370746

SCHEMBL4370746

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

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.79
▸ GAA P10253 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ CFD P00746 5/20 0.32
▸ MRGPRX4 Q96LA9 3/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL4361134 0.92 METTL3 (0.78) METTL3GAAHTTCFDMRGPRX4
SCHEMBL4361324 0.91 METTL3 (0.77) METTL3GAAHTTCFDMRGPRX4
SCHEMBL3118267 0.90 METTL3 (0.85) METTL3GAAHTTCFDMRGPRX4
SCHEMBL3118276 0.90 METTL3 (0.85) METTL3GAAHTTCFDMRGPRX4
SCHEMBL13861885 0.89 METTL3 (0.81) METTL3CFDMRGPRX4MAPTKDM4E
SCHEMBL4372591 0.89 METTL3 (0.84) METTL3CFDMRGPRX4MAPT
SCHEMBL4364898 0.89 METTL3 (0.84) METTL3GAAHTTCFDMRGPRX4
SCHEMBL4364905 0.89 METTL3 (0.84) METTL3CFDMRGPRX4MAPT
Hydrochloric Acid SCHEMBL4373402 0.89 METTL3 (0.80) METTL3CFDMRGPRX4MAPTKDM4E
SCHEMBL13861884 0.89 METTL3 (0.80) METTL3CFDMRGPRX4MAPTKDM4E

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 1260/4885GAA 770/4885HTT 4296/4885

“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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