SCHEMBL1808587

SCHEMBL1808587

COc1ccc(S(N)(=O)=O)c(CCO)c1S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
CA2 P00918 8/20 0.40
CA9 Q16790 7/20 0.40
CA12 O43570 6/20 0.40
CA1 P00915 6/20 0.40
CA4 P22748 3/20 0.39
CA14 Q9ULX7 3/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA6 P23280 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
PTGES2 Q9H7Z7 3/20 0.36
GAA P10253 1/20 0.35
PTGS1 P23219 1/20 0.35
TSHR P16473 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
SCHEMBL1804632 0.91 PKM (0.38) PKMCA2CA9CA12CA1
SCHEMBL1807168 0.91 PKM (0.41) PKMCA2CA9CA12CA1
SCHEMBL1805688 0.88 PKM (0.45) PKMCA2CA9CA12CA1
SCHEMBL1808584 0.86 PKM (0.41) PKMCA2CA9CA12CA1
SCHEMBL1805687 0.83 PKM (0.43) PKMCA2CA9CA12CA1
SCHEMBL1804966 0.80 CDC25A (0.34) PKMCA5ATSHR
SCHEMBL28826120 0.80 PTGES2 (0.45) PKMCA2CA9CA12CA1
SCHEMBL1805161 0.80 CA2 (0.40) CA2CA9CA12CA1CA4
SCHEMBL1804629 0.79 PKM (0.38) PKMCA2CA9CA12CA1
SCHEMBL1807167 0.79 PKM (0.41) PKMCA2CA9CA12CA1

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 PKM 714/4885CA2 1279/4885CA9 1071/4885

“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.