SCHEMBL1810995

SCHEMBL1810995

Cc1c(S(N)(=O)=O)cc(CO)cc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
CA1 P00915 5/20 0.45
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGES2 Q9H7Z7 6/20 0.39
PDIA6 Q15084 1/20 0.36
ACHE P22303 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1804067 0.93 CA2 (0.40) CA2CA1CA12CA9CA4
SCHEMBL1808301 0.84 CA2 (0.48) CA2CA1CA12CA9CA4
SCHEMBL1810994 0.83 ALDH1A1 (0.45) CA2CA1CA12CA9CA4
SCHEMBL14434297 0.82 CA2 (0.41) CA2CA1CA12CA9CA4
SCHEMBL1804211 0.81 POLB (0.37) CA2CA1CA12CA9CA4
SCHEMBL1805343 0.79 CA2 (0.50) CA2CA1CA12CA9CA4
SCHEMBL1804063 0.79 ALDH1A1 (0.38) CA2CA1CA12CA9ALDH1A1
SCHEMBL1806871 0.79 MAPT (0.47) CA2CA1CA12CA9CA4
SCHEMBL1805863 0.78 CA2 (0.43) CA2CA1CA12CA9CA4
SCHEMBL1808299 0.78 KDM4E (0.41) CA2CA1CA12CA9CA4

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.