SCHEMBL4366642

SCHEMBL4366642

CC(C)C(CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OCCCO)cc21

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 3/20 0.82
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
METTL14 Q9HCE5 2/20 0.33
MRGPRX4 Q96LA9 3/20 0.32
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
CFD P00746 2/20 0.32
MAPT P10636 1/20 0.31
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TOP1 P11387 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
SCHEMBL4359720 1.00 METTL3 (0.82) METTL3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4363570 0.98 METTL3 (0.81) METTL3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4364905 0.96 METTL3 (0.84) METTL3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4372591 0.96 METTL3 (0.84) METTL3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13861884 0.94 METTL3 (0.80) METTL3METTL14MRGPRX4LTB4RLTB4R2
SCHEMBL4362970 0.94 METTL3 (0.83) METTL3METTL14MRGPRX4LTB4RLTB4R2
Hydrochloric Acid SCHEMBL4359154 0.93 METTL3 (0.79) METTL3METTL14MRGPRX4LTB4RLTB4R2
SCHEMBL13861887 0.93 METTL3 (0.79) METTL3METTL14MRGPRX4LTB4RLTB4R2
SCHEMBL4363027 0.93 METTL3 (0.79) METTL3METTL14CFD
SCHEMBL4364872 0.93 METTL3 (0.84) METTL3METTL14MRGPRX4CFDMAPT

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
WO-2005113509-A1 NOVEL 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-12-01 WO 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-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-01-26 US disclosed
WO-2005113509-A1 NOVEL 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-12-01 WO 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 1260/4885PRKAB2 3095/4885PRKAG1 3122/4885

“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.