SCHEMBL4676356

SCHEMBL4676356

CCCCC(CCCCc1ccc(OC)cc1)c1cc[nH]c1CC(=O)C(=O)c1nn[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C19 P33261 1/20 0.34
CES1 P23141 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
ALOX5 P09917 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4678804 0.91 CES1 (0.36) PLA2G4ACES1NCEH1ALOX5
SCHEMBL4675334 0.90 CES1 (0.35) PLA2G4ACES1NCEH1CYSLTR2CYSLTR1
SCHEMBL4676781 0.90 CES1 (0.35) PLA2G4ACES1NCEH1
SCHEMBL4679778 0.90 CES1 (0.45) CES1NCEH1ALOX5CYSLTR2CYSLTR1
SCHEMBL4673583 0.89 CES1 (0.35) PLA2G4ACES1NCEH1CYSLTR2CYSLTR1
SCHEMBL4680140 0.87 ALOX5 (0.35) PLA2G4AALOX5
SCHEMBL4676494 0.83 CES1 (0.35) PTGDR2CES1NCEH1
SCHEMBL4671586 0.83 CYSLTR2 (0.36) PTGDR2CES1NCEH1CYSLTR2CYSLTR1
SCHEMBL4676499 0.82 CES1 (0.36) PLA2G4AMAPK8MAPK10PTGDR2CYP2C9
SCHEMBL4678376 0.79 CES1 (0.33) CES1NCEH1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 PLA2G4A 4868/4885MAPK8 2178/4885MAPK10 4133/4885

“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.