SCHEMBL13480973

SCHEMBL13480973

COc1ccc2nc(S(N)(=O)=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.56
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA9 Q16790 3/20 0.52
APP P05067 3/20 0.51
FBP1 P09467 1/20 0.47
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA3 P07451 1/20 0.44
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TLR4 O00206 1/20 0.43
XDH P47989 1/20 0.43

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
SCHEMBL1748246 0.86 APP (0.52) CA2CA12CA1CA9APP
SCHEMBL13481038 0.80 KDM4E (0.51) CA2CA12CA1CA9FBP1
SCHEMBL558021 0.76 PIK3CG (0.56) CA2CA12CA1CA9APP
SCHEMBL6791597 0.74 APP (0.59) CA12CA1CA9APPFBP1
SCHEMBL2421219 0.72 APP (0.54) CA12CA1CA9APPFBP1
SCHEMBL12778280 0.72 APP (0.54) CA12CA1CA9APPFBP1
SCHEMBL3204008 0.72 APP (0.54) CA12CA1CA9APPFBP1
Coixol SCHEMBL29999166 0.72 APP (0.54) CA12CA1CA9APPFBP1
SCHEMBL2419604 0.72 APP (0.54) CA12CA1CA9APPFBP1
SCHEMBL10506994 0.72 CA2 (1.00) CA2CA12CA1CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 US 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-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF AQP4, AQP1, AQP3 CA2 187/4885CA12 1578/4885CA1 563/4885

“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.