SCHEMBL4677447

SCHEMBL4677447

O=C(C=C(O)c1nc[nH]n1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1B1 P15121 1/20 0.31
CHEK2 O96017 1/20 0.31
PTGER3 P43115 1/20 0.31
BCHE P06276 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL4677761 0.89 LMNA (0.35) LMNAPPARGNCOA2NCOA1NPSR1
SCHEMBL4680017 0.86 ALDH1A1 (0.33) LMNAALDH1A1CYP3A4MAPK1MEN1
SCHEMBL4672177 0.83 TDP1 (0.34) LMNAPPARGNCOA2NCOA1NPSR1
SCHEMBL4679590 0.81 CHEK2 (0.32) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL4676012 0.78 MAPT (0.41) LMNAALDH1A1CYP3A4MAPK1MEN1
SCHEMBL4676053 0.78 NPSR1 (0.41) LMNANPSR1ALDH1A1CYP3A4MAPK1
SCHEMBL4677186 0.78 ALDH1A1 (0.33) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL4673071 0.78 ALDH1A1 (0.33) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL4671593 0.77 AKR1B1 (0.34) LMNANPSR1ALDH1A1CYP3A4MAPK1
SCHEMBL4672762 0.77 NPC1 (0.31) ALDH1A1CYP3A4MAPK1AKR1B1CHEK2

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 LMNA 659/4885PPARG 2820/4885NCOA2 642/4885

“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.