SCHEMBL4677315

SCHEMBL4677315

O=C(O)C(O)=CC(=O)c1[nH]ncc1Cc1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HCAR3 P49019 1/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPK1 P28482 2/20 0.35
VNN1 O95497 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABL1 P00519 1/20 0.34
BRS3 P32247 1/20 0.34
ATM Q13315 1/20 0.33
P2RX7 Q99572 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
SCHEMBL4673595 0.84 MEN1 (0.37) KDM4EALDH1A1PTPN1MEN1KMT2A
SCHEMBL4678586 0.81 PTPN1 (0.36) ARKDM4EALDH1A1HCAR3PTPN1
SCHEMBL4674291 0.81 MEN1 (0.40) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL4678588 0.81 PTPN1 (0.36) ARKDM4EALDH1A1HCAR3PTPN1
SCHEMBL4671440 0.79 CES1 (0.34) ARKDM4EALDH1A1HCAR3MEN1
SCHEMBL4675439 0.79 HCAR2 (0.45) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL4678093 0.79 HRH4 (0.39) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL4673288 0.76 PTPN1 (0.40) KDM4EALDH1A1PTPN1MEN1KMT2A
SCHEMBL4673291 0.76 PTPN1 (0.40) KDM4EALDH1A1PTPN1MEN1KMT2A
SCHEMBL4673325 0.76 CCR5 (0.38) KDM4EALDH1A1TSHR

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 AR 10/4885KDM4E 947/4885ALDH1A1 980/4885

“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.