SCHEMBL1802803

SCHEMBL1802803

COc1c(CO)cc(S(=O)(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
PTGS2 P35354 3/20 0.36
PKM P14618 2/20 0.35
CA2 P00918 5/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
CA12 O43570 2/20 0.35
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE3B Q13370 1/20 0.32

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
SCHEMBL1807484 0.91 APEX1 (0.43) MAPTPTGS2PKMCA2CA1
SCHEMBL1806212 0.89 MAPT (0.44) MAPTPTGS2PDE4APDE4BPDE4C
SCHEMBL1807822 0.88 CA2 (0.35) PTGS2PKMCA2CA1CA9
SCHEMBL1802446 0.88 MAPT (0.41) MAPTPTGS2CA2CA1CA9
SCHEMBL1802800 0.88 PKM (0.35) PTGS2PKMCA2CA1CA9
SCHEMBL1807819 0.85 CA1 (0.35) PKMCA2CA1CA9CA12
SCHEMBL1804948 0.80 APEX1 (0.36) PTGS2CA2CA1CA9CA12
SCHEMBL1804156 0.79 APEX1 (0.41) PTGS2PKMCA2CA1CA9
SCHEMBL1805065 0.78 LOXL2 (0.33) CA2CA1CA9CA12CYP2C19
SCHEMBL1807662 0.77 CA2 (0.38) PTGS2CA2CA1CA9CA12

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 MAPT 2252/4885PTGS2 1638/4885PKM 714/4885

“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.