SCHEMBL4370951

SCHEMBL4370951

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

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.79
▸ PDCD1 Q15116 2/20 0.37
▸ CD274 Q9NZQ7 2/20 0.37
▸ CFD P00746 4/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ EGFR P00533 3/20 0.33
▸ BRPF1 P55201 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL4364898 0.92 METTL3 (0.84) METTL3CFDMRGPRX4
SCHEMBL3118276 0.92 METTL3 (0.85) METTL3CFDTP53RXFP1MRGPRX4
SCHEMBL3118267 0.92 METTL3 (0.85) METTL3CFDTP53RXFP1MRGPRX4
SCHEMBL4367274 0.90 METTL3 (0.80) METTL3CFDEGFRBRPF1
SCHEMBL4363027 0.90 METTL3 (0.79) METTL3CFDEGFR
SCHEMBL4364905 0.89 METTL3 (0.84) METTL3CFDMRGPRX4
SCHEMBL4372591 0.89 METTL3 (0.84) METTL3CFDMRGPRX4
SCHEMBL4367228 0.89 METTL3 (0.78) METTL3CFDEGFRMRGPRX4
SCHEMBL4366642 0.89 METTL3 (0.82) METTL3CFDMRGPRX4
SCHEMBL4368097 0.89 METTL3 (0.82) METTL3PDCD1CD274CFDTP53

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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