SCHEMBL4673365

SCHEMBL4673365

CC(=O)c1ccc(Cc2ccsc2C(=O)/C=C(\O)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.44
PYCR1 P32322 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
TBXAS1 P24557 2/20 0.32
RXRA P19793 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS1 P23219 1/20 0.32
MAOB P27338 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
SCHEMBL4673371 1.00 KMT2A (0.45) KMT2ALMNAPYCR1TSHRHSD17B10
SCHEMBL4677723 0.87 ALDH1A1 (0.38) KMT2ATSHRALDH1A1HTTMAPK8
SCHEMBL4677725 0.87 ALDH1A1 (0.38) KMT2ATSHRALDH1A1HTTMAPK8
SCHEMBL4674978 0.85 PTPRC (0.39) KMT2AMAPK8MAPK10
SCHEMBL4674983 0.85 PTPRC (0.39) KMT2AMAPK8MAPK10
SCHEMBL4677119 0.85 LTB4R (0.45) KMT2ALMNATSHRALDH1A1HTT
SCHEMBL4677114 0.85 LTB4R (0.45) KMT2ALMNATSHRALDH1A1HTT
SCHEMBL4673033 0.84 ALDH1A1 (0.38) KMT2ALMNAALDH1A1HTTMAPK8
SCHEMBL4670794 0.84 ITGB1 (0.35) KMT2ATSHRALDH1A1HTTMAPT
SCHEMBL4670796 0.84 ITGB1 (0.35) KMT2ATSHRALDH1A1HTTMAPT

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 KMT2A 597/4885LMNA 659/4885PYCR1 853/4885

“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.