SCHEMBL4674871

SCHEMBL4674871

O=C(Cc1csc(S(=O)(=O)c2ccccc2)c1)C(=O)c1nc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.33
NAMPT P43490 7/20 0.32
POLB P06746 1/20 0.32
LOX P28300 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PRMT1 Q99873 1/20 0.31
CA2 P00918 1/20 0.31
MMP8 P22894 2/20 0.31
RPS6KB2 Q9UBS0 1/20 0.31
MMP3 P08254 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4679594 0.90 L3MBTL1 (0.33) NAMPTPOLBALDH1A1
SCHEMBL4674440 0.90 HTR2A (0.34) LOXL2NAMPTALDH1A1MMP3KDM4E
SCHEMBL4679653 0.83 CES1 (0.37) LOXALDH1A1PRMT1MMP8RPS6KB2
SCHEMBL4673473 0.81 LOX (0.39) LOXL2NAMPTPOLBLOXALDH1A1
SCHEMBL4674547 0.80 LOX (0.49) LOXL2LOX
SCHEMBL4673897 0.80 RPS6KB2 (0.40) MMP8RPS6KB2KDM4E
SCHEMBL4675421 0.79 NAMPT (0.34) NAMPTALDH1A1PRMT1
SCHEMBL4673826 0.79 LTB4R (0.44) NAMPTALDH1A1RPS6KB2KDM4E
SCHEMBL4671466 0.78 NAMPT (0.32) NAMPTALDH1A1PRMT1
SCHEMBL4674883 0.78 ALDH1A1 (0.37) NAMPTPOLBALDH1A1KDM4E

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 LOXL2 4446/4885NAMPT 2333/4885POLB 58/4885

“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.