SCHEMBL4677841

SCHEMBL4677841

O=C(Cc1cc[nH]c1S(=O)(=O)c1ccc(F)cc1)C(=O)c1nc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
AKR1B1 P15121 1/20 0.32
HTR2A P28223 3/20 0.31
KCNH2 Q12809 3/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2C P28335 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
SCHEMBL4673018 0.90 NAMPT (0.34) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4678613 0.89 ALDH1A1 (0.33) AKR1B1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4677699 0.82 RORC (0.34) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4677887 0.82 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4671374 0.81 NAMPT (0.33) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4680396 0.81 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4673904 0.79 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4671745 0.79 MMP1 (0.33) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4672013 0.79 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4671299 0.79 LMNA (0.32) LMNA

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 MMP1 1483/4885MMP2 1886/4885MMP3 2640/4885

“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.