SCHEMBL4674980

SCHEMBL4674980

O=C(O)/C(O)=C/C(=O)c1ccsc1Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
MAPK8 P45983 1/20 0.41
ABL1 P00519 1/20 0.38
PTPN1 P18031 2/20 0.38
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
FEN1 P39748 2/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4674987 1.00 HPGD (0.41) HPGDMAPK8ABL1PTPN1RAB9A
SCHEMBL4673929 0.82 PTPN1 (0.38) HPGDMAPK8ABL1PTPN1RAB9A
SCHEMBL4673936 0.82 PTPN1 (0.38) HPGDMAPK8ABL1PTPN1RAB9A
SCHEMBL4672640 0.81 HPGD (0.39) HPGDMAPK8ABL1PTPN1RAB9A
SCHEMBL4672635 0.81 HPGD (0.39) HPGDMAPK8ABL1PTPN1RAB9A
SCHEMBL4674863 0.79 MAPK8 (0.39) HPGDMAPK8ABL1RAB9AALDH1A1
SCHEMBL4674868 0.79 MAPK8 (0.39) HPGDMAPK8ABL1RAB9AALDH1A1
SCHEMBL4676178 0.79 MAPK8 (0.44) MAPK8RAB9ASMN1; SMN2FEN1NPC1
SCHEMBL4676180 0.79 MAPK8 (0.44) MAPK8RAB9ASMN1; SMN2FEN1NPC1
SCHEMBL4678288 0.78 PTPN1 (0.39) HPGDABL1PTPN1RAB9AALDH1A1

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 2816/4885MAPK8 2178/4885ABL1 494/4885

“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.