SCHEMBL1806910

SCHEMBL1806910

NS(=O)(=O)c1cc(S(=O)(=O)O)cc2cccc([O])c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
NT5E P21589 3/20 0.42
CASP6 P55212 3/20 0.42
NSD2 O96028 3/20 0.42
DUSP3 P51452 2/20 0.42
PTPN5 P54829 2/20 0.42
PTPN11 Q06124 2/20 0.42
DUSP5 Q16690 1/20 0.40
SUMO2 P61956 1/20 0.39
SUMO1 P63165 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP2 Q9HC62 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
TSHR P16473 2/20 0.39
CA9 Q16790 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1806912 0.86 DUSP5 (0.48) ALDH1A1MAPK1NT5ECASP6NSD2
SCHEMBL1805883 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1NT5ECASP6NSD2
SCHEMBL1805880 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1NT5ECASP6NSD2
SCHEMBL11307786 0.81 DUSP5 (0.60) ALDH1A1MAPK1NT5ECASP6NSD2
SCHEMBL11150678 0.79 ALDH1A1 (0.43) ALDH1A1MAPK1NT5ECASP6NSD2
SCHEMBL1808443 0.77 CA2 (0.55) ALDH1A1MAPK1CA1CA2CA9
SCHEMBL2875633 0.76 ALDH1A1 (0.55) ALDH1A1MAPK1NT5ECASP6NSD2
SCHEMBL5171487 0.75 ALDH1A1 (0.51) ALDH1A1MAPK1NT5ECASP6NSD2
SCHEMBL1762290 0.74 SUMO2 (0.53) ALDH1A1MAPK1NT5ECASP6NSD2
SCHEMBL14989032 0.74 SUMO2 (0.53) ALDH1A1MAPK1NT5ECASP6NSD2

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 ALDH1A1 218/4885MAPK1 926/4885NT5E 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.