SCHEMBL4674983

SCHEMBL4674983

O=C(O)C(O)=CC(=O)c1sccc1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.39
LTB4R Q15722 4/20 0.38
GPR52 Q9Y2T5 1/20 0.37
MAPK8 P45983 3/20 0.36
MAPK10 P53779 3/20 0.36
PTPN1 P18031 3/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MAPK9 P45984 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN6 P29350 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
SCHEMBL4674978 1.00 PTPRC (0.39) PTPRCLTB4RGPR52MAPK8MAPK10
SCHEMBL4677725 0.87 ALDH1A1 (0.38) MAPK8MAPK1KMT2A
SCHEMBL4673033 0.87 ALDH1A1 (0.38) MAPK8KMT2A
SCHEMBL4670796 0.87 ITGB1 (0.35) KMT2A
SCHEMBL4677723 0.87 ALDH1A1 (0.38) MAPK8MAPK1KMT2A
SCHEMBL4670794 0.87 ITGB1 (0.35) KMT2A
SCHEMBL4673375 0.87 MAPK8 (0.36) MAPK8MAPK10KMT2A
SCHEMBL4673380 0.87 MAPK8 (0.36) MAPK8MAPK10KMT2A
SCHEMBL4673029 0.87 ALDH1A1 (0.38) MAPK8KMT2A
SCHEMBL4673784 0.86 HCAR2 (0.38) GPR52MAPK8MAPK1KMT2A

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 PTPRC 1347/4885LTB4R 1834/4885GPR52 2542/4885

“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.