SCHEMBL1013923

SCHEMBL1013923

NS(=O)(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.69
CA9 Q16790 5/20 0.69
CA1 P00915 4/20 0.69
CA2 P00918 4/20 0.69
CA7 P43166 2/20 0.69
CA4 P22748 1/20 0.69
CA5A P35218 1/20 0.69
CA5B Q9Y2D0 1/20 0.69
TTK P33981 1/20 0.59
MAOB P27338 5/20 0.58
MAOA P21397 1/20 0.54
NR4A2 P43354 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
IKBKB O14920 1/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
BCHE P06276 1/20 0.51

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
SCHEMBL20326574 0.86 CA12 (0.68) CA12CA9CA1CA2CA7
SCHEMBL9276364 0.84 NR4A2 (0.58) CA12CA9CA1CA2CA7
SCHEMBL3682884 0.84 MAOB (0.54) CA12CA9CA1CA2CA7
SCHEMBL6772311 0.83 NR4A2 (0.56) CA12CA9CA1CA2CA7
SCHEMBL6772305 0.83 CA12 (0.54) CA12CA9CA1CA2CA7
SCHEMBL14149692 0.82 CA12 (0.70) CA12CA9CA1CA2CA7
SCHEMBL8760665 0.81 CA12 (1.00) CA12CA9CA1CA2CA7
SCHEMBL22480986 0.80 CA1 (0.54) CA12CA9CA1CA2CA7
SCHEMBL1268719 0.78 MAOB (0.81) MAOBMAOANR4A2MEN1KMT2A
SCHEMBL5610159 0.78 CA1 (0.62) CA12CA9CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 EP disclosed
CN-101466728-A HCV inhibitors comprising beta amino acids and their uses NOVARTIS AG (CH) 2009-06-24 CN disclosed
EP-2007788-A2 HCV INHIBITORS Novartis AG (CH) 2008-12-31 EP disclosed
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 WO disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 WO disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 WO disclosed
WO-2007120595-A2 AMINES FOR THE TREATMENT OF HCV NOVARTIS AG (CH) 2007-10-25 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 (2 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CA12 886/4885CA9 605/4885CA1 2516/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CA12 886/4885CA9 605/4885CA1 2516/4885

“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.