SCHEMBL4676355

SCHEMBL4676355

COc1ccc(Cc2ccsc2C(=O)C=C(O)c2nn[nH]n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.44
MAPK10 P53779 2/20 0.44
LTB4R Q15722 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
KEAP1 Q14145 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.34
MAPK9 P45984 1/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
FFAR1 O14842 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 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
SCHEMBL4670773 0.90 PTGER4 (0.33) MAPK8MAPK10ALDH1A1TSHR
SCHEMBL4676938 0.88 CES1 (0.41) MAPK8MAPK10LTB4RPTGDR2ERCC5
SCHEMBL4672278 0.88 XDH (0.38) MAPK8MAPK10ERCC5FEN1LMNA
SCHEMBL4676979 0.88 MMEL1 (0.32) MAPK8MAPK10PTGDR2HTTMAPT
SCHEMBL4677252 0.88 CES1 (0.32) MAPK8MAPK10
SCHEMBL4679024 0.86 CES1 (0.33) MAPK8MAPK10
SCHEMBL4677628 0.85 MAPK8 (0.43) MAPK8MAPK10LTB4RTP53ERCC5
SCHEMBL4672766 0.84 LTB4R (0.39) MAPK8MAPK10LTB4RHTTMAPK9
SCHEMBL4671442 0.83 MAPK8 (0.37) MAPK8MAPK10TAS2R14PTGDR2KEAP1
SCHEMBL4677329 0.82 MAPK8 (0.36) MAPK8MAPK10TAS2R14PTGDR2KEAP1

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 4133/4885LTB4R 1834/4885

“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.