SCHEMBL4392274

SCHEMBL4392274

Cc1ccc(S(=O)(=O)c2ccc([O])cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.80
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
RAPGEF4 Q8WZA2 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
CA2 P00918 4/20 0.52
CA1 P00915 2/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
PKM P14618 2/20 0.52
TLR9 Q9NR96 1/20 0.50
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10067072 0.89 GAA (1.00) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL4400955 0.89 GAA (1.00) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL170033 0.89 GAA (1.00) GAAKMT2AALDH1A1MEN1MAPT
Water SCHEMBL9619041 0.87 GAA (0.94) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL8632609 0.87 ALDH1A1 (0.55) GAAKMT2AALDH1A1MEN1MAPT
Methylamine SCHEMBL11593292 0.84 GAA (0.89) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL19651364 0.82 GAA (0.84) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL19651363 0.82 GAA (0.84) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL4401275 0.82 GAA (0.84) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL12409037 0.82 GAA (0.84) GAAKMT2AALDH1A1MEN1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP claimed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO claimed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO 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-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L GAA 940/4885KMT2A 2578/4885ALDH1A1 4167/4885

“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.