SCHEMBL4677761

SCHEMBL4677761

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

nearest known ligand 0.35

Predicted protein targets (top 15)

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
CFTR P13569 4/20 0.33
HTR2A P28223 3/20 0.32
KCNH2 Q12809 2/20 0.32
MAOA P21397 1/20 0.31
LOX P28300 1/20 0.31
AKR1B1 P15121 1/20 0.31
ALDH1A1 P00352 1/20 0.31
IKBKB O14920 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL4677447 0.89 LMNA (0.35) LMNAPPARGNCOA2NCOA1NPSR1
SCHEMBL4674789 0.86 MAPT (0.35) HTR2AKCNH2AKR1B1ALDH1A1
SCHEMBL4676293 0.83 CFTR (0.33) LMNAPPARGNCOA2NCOA1NPSR1
SCHEMBL4674438 0.81 HTR2A (0.31) CFTRHTR2AKCNH2AKR1B1
SCHEMBL4674481 0.78 HTR2A (0.32) HTR2AKCNH2AKR1B1ALDH1A1
SCHEMBL4672012 0.78 IKBKB (0.32) HTR2AKCNH2AKR1B1IKBKB
SCHEMBL4671743 0.78 MEN1 (0.32) LMNAAKR1B1ALDH1A1
SCHEMBL4671731 0.78 NPSR1 (0.41) LMNANPSR1AKR1B1ALDH1A1IKBKB
SCHEMBL4671044 0.77 ABL1 (0.35) LMNANPSR1ALDH1A1
SCHEMBL4675183 0.77 HTR2A (0.35) CFTRHTR2AKCNH2AKR1B1ALDH1A1

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.