SCHEMBL253349

SCHEMBL253349

C=CC(c1ccccc1S(N)(=O)=O)S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.42
CA1 P00915 12/20 0.42
CA9 Q16790 10/20 0.42
CA12 O43570 6/20 0.42
CA6 P23280 4/20 0.42
CA5A P35218 4/20 0.42
CA4 P22748 3/20 0.42
CA7 P43166 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
CA14 Q9ULX7 2/20 0.42
CYP2C9 P11712 1/20 0.42
LDHA P00338 1/20 0.34
CDK2 P24941 1/20 0.34
CA3 P07451 1/20 0.33
PLA2G7 Q13093 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33

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
SCHEMBL7598408 0.80 CA1 (0.40) CA2CA1CA9CA12CA6
SCHEMBL8679535 0.80 CA2 (0.44) CA2CA1CA9CA12CA6
SCHEMBL6063207 0.76 KDM4E (0.41) CA2CA1CA9CA12CA6
SCHEMBL4564552 0.75 CA2 (0.39) CA2CA1CA9CA12CA6
SCHEMBL7166967 0.73 CA1 (0.38) CA2CA1CA9CA12CA6
SCHEMBL8428528 0.72 CA2 (0.47) CA2CA1CA9CA12CA6
SCHEMBL1106519 0.71 CA1 (0.53) CA2CA1CA9CA12CA6
SCHEMBL21826752 0.71 CA2 (0.50) CA2CA1CA9CA12CA6
SCHEMBL29469924 0.71 CA2 (0.50) CA2CA1CA9CA12CA6
SCHEMBL29933194 0.71 CA2 (0.50) CA2CA1CA9CA12CA6

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
US-8088752-B2 Methods for metabolic modulation VDF FUTURECEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20090208620-A1 Alimentary Compositions and Methods For Metabolic Modulation VDF FUTURECEUTICALS, INC. (US) 2009-08-20 US disclosed
US-20090203638-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION VDF FUTURECEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20070184067-A1 Alimentary compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-08-09 US disclosed
US-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-07-12 US disclosed
WO-2005020892-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-03-10 WO disclosed
WO-2005016268-A2 ALIMENTARY COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-02-24 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-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation GPR119, PRKAG2, PRKAG1 CA2 2364/4885CA1 4536/4885CA9 3212/4885
US-20090203638-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION GPR119, PRKAG2, GCKR CA2 2458/4885CA1 4583/4885CA9 3326/4885

“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.