SCHEMBL4374954

SCHEMBL4374954

CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OCc3cccnc3)cc21

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.75
▸ PDCD1 Q15116 17/20 0.43
▸ CD274 Q9NZQ7 17/20 0.43
▸ SGMS2 Q8NHU3 1/20 0.38
▸ PRKAB2 O43741 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAG3 Q9UGI9 1/20 0.37
▸ PRKAG2 Q9UGJ0 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL4360710 0.93 METTL3 (0.77) METTL3PDCD1CD274SGMS2
SCHEMBL4368097 0.92 METTL3 (0.82) METTL3PDCD1CD274
SCHEMBL13861883 0.89 METTL3 (0.76) METTL3PDCD1CD274SGMS2PRKAB2
SCHEMBL4364881 0.89 METTL3 (0.78) METTL3
Hydrochloric Acid SCHEMBL4364224 0.89 METTL3 (0.75) METTL3PDCD1CD274SGMS2PRKAB2
SCHEMBL4363281 0.88 METTL3 (0.78) METTL3
SCHEMBL3118267 0.87 METTL3 (0.85) METTL3
SCHEMBL3118276 0.87 METTL3 (0.85) METTL3
SCHEMBL4362566 0.87 METTL3 (0.75) METTL3
SCHEMBL4364898 0.87 METTL3 (0.84) METTL3

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 1260/4885PDCD1 1790/4885CD274 2350/4885

“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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