SCHEMBL1808196

SCHEMBL1808196

COc1ccc(S(=O)(=O)O)c(CN)c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.36
PKM P14618 1/20 0.36
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
GSK3B P49841 1/20 0.34
POLB P06746 2/20 0.33
FABP4 P15090 1/20 0.33
SLC2A1 P11166 1/20 0.33
CA5A P35218 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL1807719 0.88 TSHR (0.40) CASRLMNAKMT2ASLC2A1TSHR
SCHEMBL1805842 0.85 CDC25A (0.35) CASRPKMCDC25ACDC25BHIF1A
SCHEMBL1805840 0.85 CDC25A (0.35) CASRPKMCDC25ACDC25BHIF1A
SCHEMBL1808193 0.84 CDC25A (0.34) CASRPKMCDC25ACDC25BHIF1A
SCHEMBL1804961 0.83 CDC25A (0.34) CASRPKMCDC25ACDC25BHIF1A
SCHEMBL1804966 0.83 CDC25A (0.34) CASRPKMCDC25ACDC25BHIF1A
SCHEMBL1807715 0.81 CDC25A (0.33) CASRPKMCDC25ACDC25BHIF1A
SCHEMBL10771786 0.79 HTR6 (0.41) ALDH1A1LMNAMAPTKMT2ACA1
SCHEMBL1805382 0.78 PKM (0.43) PKMCA5ACA1CA2
SCHEMBL1805379 0.78 PKM (0.43) CASRPKMALDH1A1CA5ACA1

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 CASR 4462/4885PKM 714/4885CDC25A 746/4885

“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.