SCHEMBL4673789

SCHEMBL4673789

O=C(O)C(O)=CC(=O)c1sccc1Cc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.38
MAPK8 P45983 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
OPRM1 P35372 1/20 0.37
FEN1 P39748 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL4673784 1.00 HCAR2 (0.38) HCAR2MAPK8MEN1KMT2AMAPK1
SCHEMBL4674978 0.86 PTPRC (0.39) MAPK8KMT2AMAPK1GPR52
SCHEMBL4674983 0.86 PTPRC (0.39) MAPK8KMT2AMAPK1GPR52
SCHEMBL4673029 0.85 ALDH1A1 (0.38) MAPK8MEN1KMT2ARAB9AALDH1A1
SCHEMBL4673033 0.85 ALDH1A1 (0.38) MAPK8MEN1KMT2ARAB9AALDH1A1
SCHEMBL4676178 0.81 MAPK8 (0.44) HCAR2MAPK8MEN1KMT2AMAPK1
SCHEMBL4676180 0.81 MAPK8 (0.44) HCAR2MAPK8MEN1KMT2AMAPK1
SCHEMBL4672686 0.79 HCAR2 (0.40) HCAR2MEN1KMT2AGPR52
SCHEMBL4672682 0.79 HCAR2 (0.40) HCAR2MEN1KMT2AGPR52
SCHEMBL4673099 0.79 PTGDR2 (0.39) HCAR2MAPK8OPRM1TAS2R14

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 HCAR2 276/4885MAPK8 2178/4885MEN1 4663/4885

“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.