SCHEMBL4677699

SCHEMBL4677699

O=C(Cc1cc[nH]c1S(=O)(=O)c1ccc(F)cc1)C(=O)c1nn[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.34
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
CXCR3 P49682 1/20 0.33
AKR1B1 P15121 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C8 P10632 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4671266 0.90 CES1 (0.36) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4675557 0.89 CXCR3 (0.35) CXCR3AKR1B1CYP2C19
SCHEMBL4677841 0.82 MMP1 (0.33) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4672874 0.82 MMP1 (0.36) RORCMMP1MMP2MMP3MMP9
SCHEMBL4672912 0.81 NAMPT (0.33) RORCMMP1MMP2MMP3MMP9
SCHEMBL4671253 0.81 MMP1 (0.39) RORCMMP1MMP2MMP3MMP9
SCHEMBL4672687 0.79 RORC (0.33) RORCMMP1MMP2MMP3MMP9
SCHEMBL4673138 0.79 MMP1 (0.37) RORCMMP1MMP2MMP3MMP9
SCHEMBL4673522 0.79 MMP1 (0.37) RORCMMP1MMP2MMP3MMP9
SCHEMBL4674711 0.79 CXCR3 (0.33) RORCMMP1MMP2MMP3MMP9

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 RORC 230/4885MMP1 1483/4885MMP2 1886/4885

“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.