SCHEMBL4674928

SCHEMBL4674928

O=C(C=C(O)c1nn[nH]n1)c1cscc1Cc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.39
FFAR2 O15552 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
MPO P05164 1/20 0.35
CES1 P23141 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
PIN1 Q13526 1/20 0.35
PTGER4 P35408 1/20 0.33
PTGER2 P43116 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
FFAR1 O14842 1/20 0.32
NR3C2 P08235 1/20 0.32
BRS3 P32247 1/20 0.32

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
SCHEMBL4671521 0.90 CES1 (0.41) HCAR2CES1NCEH1PTGER4PTGER2
SCHEMBL4672589 0.89 MMEL1 (0.32) PTGDR2MPOCES1NCEH1
SCHEMBL4672905 0.84 HCAR2 (0.39) HCAR2FFAR2PTGDR2MPOCES1
SCHEMBL4671734 0.84 HCAR2 (0.39) HCAR2MPOPTGER4PTGER2NR3C2
SCHEMBL4676354 0.84 CES1 (0.34) PTGDR2MPOCES1NCEH1
SCHEMBL4676165 0.83 CES1 (0.33) CES1NCEH1
SCHEMBL4673099 0.83 PTGDR2 (0.39) HCAR2FFAR2PTGDR2MPOCES1
SCHEMBL4675006 0.83 FFAR2 (0.40) HCAR2FFAR2PTGDR2MPOCES1
SCHEMBL4672195 0.82 CES1 (0.32) CES1NCEH1PTGER4
SCHEMBL4680244 0.82 CES1 (0.32) CES1NCEH1

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 HCAR2 276/4885FFAR2 2618/4885PTGDR2 4591/4885

“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.