SCHEMBL1802235

SCHEMBL1802235

NS(=O)(=O)c1ccc(C[O])c(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CA2 P00918 14/20 0.44
CA1 P00915 8/20 0.43
CA12 O43570 6/20 0.43
CA9 Q16790 6/20 0.43
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.38

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
SCHEMBL1806779 0.87 ALDH1A1 (0.41) KDM4ECA2CA1CA12CA7
SCHEMBL1808222 0.87 APEX1 (0.47) PKMKDM4EMEN1GAAMAPT
SCHEMBL1806798 0.86 CA2 (0.45) PKMKDM4EMEN1GAAMAPT
SCHEMBL1802237 0.86 CA2 (0.48) PKMKDM4EMEN1GAAMAPT
SCHEMBL1804069 0.86 ALDH1A1 (0.46) PKMKDM4EMEN1GAAMAPT
SCHEMBL1805956 0.83 CA2 (0.50) PKMKDM4EMEN1GAAMAPT
SCHEMBL1806799 0.83 CA2 (0.53) PKMKDM4EMEN1GAAMAPT
SCHEMBL1806450 0.82 CA2 (0.49) PKMKDM4EMEN1GAAMAPT
SCHEMBL1805958 0.80 CA2 (0.66) CA2CA1CA12CA9CA4
SCHEMBL1806451 0.79 CA2 (0.60) 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 PKM 714/4885KDM4E 1406/4885MEN1 592/4885

“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.