SCHEMBL1803744

SCHEMBL1803744

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
HIF1A Q16665 1/20 0.35
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 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
SCHEMBL1804817 0.92 MAPT (0.42) MAPTALOX15TSHRHSD17B10CDC25A
SCHEMBL1803742 0.86 HIF1A (0.36) MAPTHSD17B10CDC25ACDC25BHIF1A
SCHEMBL1806894 0.85 CA12 (0.37) MAPTCDC25ACDC25BHIF1AALDH1A1
SCHEMBL1806871 0.83 MAPT (0.47) MAPTALOX15TSHRHSD17B10CA12
SCHEMBL1805741 0.83 HIF1A (0.35) MAPTHSD17B10CDC25ACDC25BHIF1A
SCHEMBL1805744 0.83 LOXL2 (0.37) MAPTCDC25ACDC25BHIF1AALDH1A1
SCHEMBL1806892 0.81 CA12 (0.41) MAPTCDC25ACDC25BHIF1AALDH1A1
SCHEMBL1803632 0.80 HTR2A (0.53) TSHRKDM4ECA12CA1CA2
SCHEMBL1803629 0.80 CA12 (0.36) MAPTCDC25ACDC25BHIF1AALDH1A1
SCHEMBL1804815 0.79 PKM (0.38) MAPTHSD17B10CDC25ACDC25BHIF1A

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 2252/4885ALOX15 3480/4885TSHR 3565/4885

“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.