SCHEMBL4679731

SCHEMBL4679731

O=C(O)/C(O)=C/C(=O)c1occc1Cc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC1A1 P43005 2/20 0.35
SRC P12931 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4679732 1.00 HCAR2 (0.38) HCAR2GPR52POLBLMNATHRB
SCHEMBL4674464 0.87 KMT2A (0.40) GPR52POLBNPC1MAPTPTPN1
SCHEMBL4674462 0.87 KMT2A (0.40) GPR52POLBNPC1MAPTPTPN1
SCHEMBL4675592 0.85 ALDH1A1 (0.36) LMNARAB9AKDM4EALDH1A1MEN1
SCHEMBL4675595 0.85 ALDH1A1 (0.36) LMNARAB9AKDM4EALDH1A1MEN1
SCHEMBL4670968 0.81 HCAR2 (0.39) HCAR2GPR52POLBLMNATHRB
SCHEMBL4670971 0.81 HCAR2 (0.39) HCAR2GPR52POLBLMNATHRB
SCHEMBL4679360 0.80 ALDH1A1 (0.38) MAPTPTPN1KDM4EALDH1A1MEN1
SCHEMBL4679356 0.80 ALDH1A1 (0.38) MAPTPTPN1KDM4EALDH1A1MEN1
SCHEMBL4672985 0.79 HCAR2 (0.39) HCAR2GPR52POLBLMNATHRB

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 HCAR2 276/4885GPR52 2542/4885POLB 58/4885

“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.