SCHEMBL1804739

SCHEMBL1804739

COc1cc([S])ccc1S(N)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
CA2 P00918 7/20 0.47
CA12 O43570 5/20 0.47
CA9 Q16790 5/20 0.47
CA1 P00915 4/20 0.47
TRPV4 Q9HBA0 1/20 0.44
PTGS1 P23219 2/20 0.39
PTGS2 P35354 1/20 0.39
CA4 P22748 1/20 0.38
PTGES2 Q9H7Z7 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDIA6 Q15084 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL1807811 0.85 PKM (0.60) PKMCA2CA12CA9CA1
SCHEMBL51171 0.81 MCOLN3 (0.55) PKMCA2CA12CA9CA1
SCHEMBL29469916 0.81 MCOLN3 (0.55) PKMCA2CA12CA9CA1
SCHEMBL29551296 0.81 PKM (0.55) PKMCA2CA12CA9CA1
SCHEMBL2183386 0.81 PKM (0.55) PKMCA2CA12CA9CA1
SCHEMBL2031074 0.81 PKM (0.59) PKMCA2CA12CA9CA1
SCHEMBL1804562 0.81 TRPV4 (0.44) PKMTRPV4SMN1; SMN2ALDH1A1MCOLN3
SCHEMBL19853514 0.80 PKM (0.50) PKMCA2CA12CA9CA1
SCHEMBL31556387 0.79 PKM (0.53) PKMCA2CA12CA9CA1
SCHEMBL12155187 0.79 TRPV4 (0.71) PKMCA2CA12CA9CA1

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 1279/4885CA12 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.