SCHEMBL4673380

SCHEMBL4673380

O=C(O)C(O)=CC(=O)c1sccc1Cc1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.36
MAPK10 P53779 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.34
KDR P35968 1/20 0.34
CYP17A1 P05093 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLB P06746 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
FEN1 P39748 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL4673375 1.00 MAPK8 (0.36) MAPK8MAPK10USP2ALDH1A1KDM4E
SCHEMBL4674983 0.87 PTPRC (0.39) MAPK8MAPK10KMT2A
SCHEMBL4674978 0.87 PTPRC (0.39) MAPK8MAPK10KMT2A
SCHEMBL4673029 0.84 ALDH1A1 (0.38) MAPK8ALDH1A1KDM4EHTTKMT2A
SCHEMBL4673033 0.84 ALDH1A1 (0.38) MAPK8ALDH1A1KDM4EHTTKMT2A
SCHEMBL4670796 0.84 ITGB1 (0.35) ALDH1A1MAPTTSHRHTTKMT2A
SCHEMBL4677723 0.84 ALDH1A1 (0.38) MAPK8ALDH1A1KDM4EMAPTPOLB
SCHEMBL4677725 0.84 ALDH1A1 (0.38) MAPK8ALDH1A1KDM4EMAPTPOLB
SCHEMBL4670794 0.84 ITGB1 (0.35) ALDH1A1MAPTTSHRHTTKMT2A
SCHEMBL4677119 0.82 LTB4R (0.45) MAPK8MAPK10ALDH1A1TSHRHTT

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 MAPK8 2178/4885MAPK10 4133/4885USP2 3545/4885

“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.