SCHEMBL4677764

SCHEMBL4677764

O=C(Cc1ccc(S(=O)(=O)c2ccc(F)cc2)s1)C(=O)c1nc[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOX P28300 13/20 0.39
MAOA P21397 4/20 0.39
LOXL2 Q9Y4K0 6/20 0.37
CFTR P13569 3/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4674547 0.90 LOX (0.49) LOXMAOALOXL2KCNH2
SCHEMBL4677451 0.89 LOX (0.37) LOXMAOALOXL2
SCHEMBL4674792 0.83 LOX (0.33) LOXLOXL2CFTRHTR2AHTR2C
SCHEMBL4676297 0.82 LOX (0.39) LOXMAOALOXL2CFTRPOLB
SCHEMBL4671047 0.81 ALOX5 (0.36) POLBSMN1; SMN2TDP1
SCHEMBL4674440 0.81 HTR2A (0.34) LOXL2CFTRSMN1; SMN2HTR2AHTR2C
SCHEMBL4674484 0.79 NAMPT (0.35) CFTRSMN1; SMN2HTR2AHTR2CKCNH2
SCHEMBL4673364 0.78 SMN1; SMN2 (0.35) CFTRSMN1; SMN2HTR2AHTR2CKCNH2
SCHEMBL4671019 0.78 POLB (0.34) POLBHTR2AHTR2CKCNH2
SCHEMBL4673904 0.77 MMP1 (0.37) POLBSMN1; SMN2HTR2AHTR2CKCNH2

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 LOX 3549/4885MAOA 238/4885LOXL2 4446/4885

“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.