SCHEMBL4677273

SCHEMBL4677273

O=C(C=C(O)c1nc[nH]n1)c1cc(Oc2ccc(C(F)(F)F)cc2)co1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
MAPK14 Q16539 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PPARG P37231 2/20 0.32
SCN9A Q15858 1/20 0.32
CHEK2 O96017 1/20 0.32
P2RY14 Q15391 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
CACNA1B Q00975 1/20 0.32
ALOX5 P09917 1/20 0.32
PSEN1 P49768 1/20 0.32

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
SCHEMBL4676486 0.89 KDM4E (0.39) MAPK14ALDH1A1PPARAMEN1KMT2A
SCHEMBL4673353 0.87 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4671052 0.86 NR4A2 (0.33) LTA4HALDH1A1MEN1KMT2ACHEK2
SCHEMBL4675663 0.86 CDH1 (0.38) LTA4HEPHX2PPARAMEN1KMT2A
SCHEMBL4676171 0.86 PARP10 (0.33) ALDH1A1
SCHEMBL4673894 0.84 RAB9A (0.40) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4671979 0.84 KDM5A (0.38) EPHX2ALDH1A1PPARDPPARA
SCHEMBL4671462 0.83 MRGPRX4 (0.35) MRGPRX4PPARGSMN1; SMN2
SCHEMBL4671487 0.83 CHEK2 (0.34) MAPK14ALDH1A1PPARDPPARAMEN1
SCHEMBL4676010 0.83 PPARD (0.33) PPARDPPARAPPARG

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 LTA4H 2809/4885EPHX2 2351/4885MAPK14 3049/4885

“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.