SCHEMBL4675381

SCHEMBL4675381

O=C(O)C(O)=CC(=O)c1cc(S(=O)(=O)c2ccccc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36
CA2 P00918 2/20 0.36
MAPK1 P28482 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
SCHEMBL4675379 1.00 HTR6 (0.40) HTR6ALDH1A1MEN1KMT2APOLB
SCHEMBL4671766 0.88 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL4671762 0.88 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL4676747 0.88 MAPT (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4676742 0.88 MAPT (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4677875 0.81 LOX (0.44) HTR6ALDH1A1MEN1KMT2APOLB
SCHEMBL4677872 0.81 LOX (0.44) HTR6ALDH1A1MEN1KMT2APOLB
SCHEMBL4674573 0.77 HDAC6 (0.55) MMP8MMP3
SCHEMBL4671823 0.76 CA2 (0.43) HTR6ALDH1A1NPSR1GAAMAPT
SCHEMBL4671828 0.76 CA2 (0.43) HTR6ALDH1A1NPSR1GAAMAPT

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 HTR6 606/4885ALDH1A1 980/4885MEN1 4663/4885

“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.