SCHEMBL4672829

SCHEMBL4672829

CC(=O)c1ccc(Sc2ccoc2CC(=O)C(=O)c2nc[nH]n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
PDE7A Q13946 1/20 0.31
MMP12 P39900 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
SCHEMBL4673113 0.89 TP53 (0.34) HPGDLMNAL3MBTL1ALDH1A1MMP12
SCHEMBL4679521 0.88 MMP12 (0.37) HPGDALDH1A1MMP12
SCHEMBL4676405 0.87 NPSR1 (0.33) HPGDLMNAL3MBTL1ALDH1A1MMP12
SCHEMBL4676403 0.87 CYP2C9 (0.35) HPGDMMP12
SCHEMBL4672116 0.84 HAO1 (0.32) ALDH1A1
SCHEMBL4676671 0.84 HPGD (0.38) HPGDLMNAL3MBTL1ALDH1A1ALOX5
SCHEMBL4672187 0.81 HPGD (0.37) HPGDLMNAL3MBTL1ALDH1A1HRH3
SCHEMBL4676458 0.80 MTNR1A (0.36) LMNA
SCHEMBL4670595 0.80 MAPT (0.38) HPGDLMNAL3MBTL1ALDH1A1HRH3
SCHEMBL4677331 0.80 KMT2A (0.38) LMNA

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 2816/4885LMNA 659/4885L3MBTL1 1170/4885

“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.