SCHEMBL4673387

SCHEMBL4673387

COc1ccc(Cc2cc(C(=O)C=C(O)c3nn[nH]n3)cs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
PARP1 P09874 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.36
SLC5A2 P31639 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
FFAR1 O14842 1/20 0.35
GPR35 Q9HC97 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
XDH P47989 1/20 0.34

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
SCHEMBL4676673 0.89 PTGER4 (0.33) PARP1GPR35
SCHEMBL4675485 0.88 XDH (0.38) MAPK8MAPK10PARP1ERCC5FEN1
SCHEMBL4673886 0.88 CES1 (0.40) PTGDR2ERCC5FEN1
SCHEMBL4673198 0.87 CES1 (0.32) ERCC5FEN1
SCHEMBL4674439 0.87 PTGDR2 (0.33) PTGDR2ERCC5FEN1GPR35
SCHEMBL4675363 0.86 PARP1 (0.35) PARP1ERCC5FEN1
SCHEMBL4673102 0.85 PARP1 (0.39) MAPK8MAPK10PARP1SLC5A2FFAR1
SCHEMBL4675339 0.83 MAPK8 (0.39) MAPK8MAPK10PTGDR2ERCC5FEN1
SCHEMBL4673591 0.82 MAPK8 (0.37) MAPK8MAPK10PTGDR2ERCC5FEN1
SCHEMBL4674861 0.82 LMNA (0.52) MAPK8MAPK10MEN1KMT2ACYP2C9

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 MAPK8 2178/4885MAPK10 4133/4885PARP1 501/4885

“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.