SCHEMBL1805384

SCHEMBL1805384

NS(=O)(=O)c1cc(S(=O)(=O)O)c2cc(O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.49
MPL P40238 2/20 0.48
NT5E P21589 2/20 0.47
CA2 P00918 6/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA1 P00915 2/20 0.46
CASP6 P55212 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
NSD2 O96028 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
APEX1 P27695 1/20 0.40

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
SCHEMBL1805186 0.92 PTGES (0.50) PTGESMPLNT5ECA2CA12
SCHEMBL18274862 0.88 PTGES (0.52) PTGESMPLNT5ECASP6HSD17B10
SCHEMBL31255685 0.88 PTGES (0.52) PTGESMPLNT5ECASP6HSD17B10
SCHEMBL29364155 0.88 PTGES (0.52) PTGESMPLNT5ECASP6HSD17B10
SCHEMBL118229 0.88 PTGES (0.52) PTGESMPLNT5ECASP6HSD17B10
Sulfuric Acid SCHEMBL8333659 0.86 PTGES (0.51) PTGESMPLNT5ECASP6HSD17B10
SCHEMBL9179236 0.86 PTGES (0.51) PTGESMPLNT5ECASP6HSD17B10
SCHEMBL30687388 0.86 PTGES (0.51) PTGESMPLNT5ECASP6HSD17B10
SCHEMBL446246 0.86 PTGES (0.51) PTGESMPLNT5ECASP6HSD17B10
Ammonia Solution, Strong SCHEMBL28460415 0.86 PTGES (0.51) PTGESMPLNT5ECASP6HSD17B10

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 PTGES 2979/4885MPL 4659/4885NT5E 4656/4885

“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.