SCHEMBL4673595

SCHEMBL4673595

O=C(O)C(O)=CC(=O)c1[nH]ncc1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CDK2 P24941 2/20 0.34
CCR5 P51681 1/20 0.34
CXCR4 P61073 1/20 0.34
CCNA2 P20248 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TBXAS1 P24557 2/20 0.34
PTPN1 P18031 2/20 0.33
KDM6B O15054 1/20 0.33
ALKBH2 Q6NS38 1/20 0.33
ALKBH3 Q96Q83 1/20 0.33
FTO Q9C0B1 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM2A Q9Y2K7 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
SCHEMBL4673325 0.89 CCR5 (0.38) CCR5CXCR4HRH3TBXAS1KDM6B
SCHEMBL4674949 0.88 SRD5A2 (0.36) MEN1KMT2AMAPK1TBXAS1KDM4E
SCHEMBL4672173 0.88 HRH3 (0.36) HRH3ALDH1A1
SCHEMBL4674291 0.88 MEN1 (0.40) MEN1KMT2AMAPK1CDK2CCNA2
SCHEMBL4675439 0.86 HCAR2 (0.45) MEN1KMT2AMAPK1HCAR2KDM4E
SCHEMBL4676216 0.85 KMT2A (0.44) MEN1KMT2AHRH3TBXAS1KDM4E
SCHEMBL4676176 0.84 ALDH1A1 (0.39) MEN1KMT2AFTOKDM5BALDH1A1
SCHEMBL4677315 0.84 AR (0.36) MEN1KMT2AMAPK1PTPN1KDM4E
SCHEMBL4678093 0.83 HRH4 (0.39) MEN1KMT2AMAPK1HRH3KDM4E
SCHEMBL4675711 0.78 CYP1A2 (0.38) MEN1KMT2ABCL2BCL2L1PTPN1

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 MEN1 4663/4885KMT2A 597/4885MAPK1 2560/4885

“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.