SCHEMBL1806799

SCHEMBL1806799

NS(=O)(=O)c1ccc(CCO)c(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.53
CA1 P00915 5/20 0.51
CA12 O43570 4/20 0.51
CA9 Q16790 4/20 0.51
CA7 P43166 4/20 0.51
CA5A P35218 3/20 0.51
CA5B Q9Y2D0 3/20 0.51
CA4 P22748 2/20 0.51
CA6 P23280 2/20 0.51
CA14 Q9ULX7 2/20 0.51
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CA13 Q8N1Q1 1/20 0.40

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
SCHEMBL1805958 0.90 CA2 (0.66) CA2CA1CA12CA9CA7
SCHEMBL1808349 0.90 CA2 (0.55) CA2CA1CA12CA9CA7
SCHEMBL1806451 0.89 CA2 (0.60) CA2CA1CA12CA9CA7
SCHEMBL1804662 0.88 ALDH1A1 (0.39) CA2CA1CA12CA9CA7
SCHEMBL1805625 0.87 CA2 (0.47) CA2CA1CA12CA9CA7
SCHEMBL1806798 0.87 CA2 (0.45) CA2CA1CA12CA9CA7
SCHEMBL1802237 0.86 CA2 (0.48) CA2CA1CA12CA9CA7
SCHEMBL1805956 0.84 CA2 (0.50) CA2CA1CA12CA9CA7
SCHEMBL1802235 0.83 PKM (0.46) CA2CA1CA12CA9CA7
SCHEMBL1806450 0.83 CA2 (0.49) CA2CA1CA12CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CA2 1279/4885CA1 798/4885CA12 1243/4885

“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.