SCHEMBL4676665

SCHEMBL4676665

CC(=O)c1ccc(Sc2occc2C(=O)C=C(O)c2nc[nH]n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.31
CYP1A1 P04798 1/20 0.31
ABCB1 P08183 1/20 0.31
CYP1B1 Q16678 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 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
SCHEMBL4679214 0.90 TP53 (0.33) ALDH1A1GAA
SCHEMBL4673238 0.88 MEN1 (0.34) HPGDL3MBTL1LMNAALDH1A1CYP1A1
SCHEMBL4674877 0.88 HAO1 (0.34) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL4671173 0.88
SCHEMBL4676661 0.85 HAO1 (0.32)
SCHEMBL4672824 0.84 HPGD (0.36) HPGDL3MBTL1LMNAALDH1A1ALOX5
SCHEMBL4672184 0.82 HPGD (0.36) HPGDL3MBTL1LMNAALDH1A1ALOX5
SCHEMBL4672706 0.81 EDNRA (0.36) LMNACYP1A1ABCB1CYP1B1MEN1
SCHEMBL4676198 0.80 MAPT (0.37) HPGDL3MBTL1LMNAALDH1A1CYP1A1
SCHEMBL4672075 0.80 MEN1 (0.35) HPGDALDH1A1MEN1POLBGAA

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 HPGD 2816/4885L3MBTL1 1170/4885LMNA 659/4885

“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.