SCHEMBL4676010

SCHEMBL4676010

O=C(C=C(O)c1nc[nH]n1)c1cc(Sc2ccc(C(F)(F)F)cc2)co1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.33
PPARA Q07869 5/20 0.32
HAO1 Q9UJM8 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ASPH Q12797 1/20 0.30
RIOX2 Q8IUF8 1/20 0.30
KDM8 Q8N371 1/20 0.30
PPARG P37231 2/20 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
SCHEMBL4672042 0.89 SIRT2 (0.35) KDM4E
SCHEMBL4677278 0.87 HAO1 (0.34) HAO1
SCHEMBL4676081 0.87 ALDH1A1 (0.31)
SCHEMBL4674009 0.87
SCHEMBL4670922 0.85 HPGD (0.39)
SCHEMBL4671142 0.85 ALDH1A1 (0.32) HAO1KDM4EASPHRIOX2KDM8
SCHEMBL4675329 0.84 PTPN11 (0.32) KDM4E
SCHEMBL4673374 0.84 MAOA (0.34) PPARDPPARAHAO1KDM4EASPH
SCHEMBL4678386 0.83 PPARD (0.33) PPARDPPARAHAO1
SCHEMBL4671979 0.83 KDM5A (0.38) PPARDPPARAKDM4EASPHRIOX2

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
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
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 PPARD 3054/4885PPARA 2490/4885HAO1 600/4885

“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.