SCHEMBL1803007

SCHEMBL1803007

COc1ccc(S(=O)(=O)O)c(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MPL P40238 1/20 0.41
PTGS2 P35354 2/20 0.40
SLC2A1 P11166 2/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
GAA P10253 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 1/20 0.39
ABCB11 O95342 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
SCHEMBL1607332 0.88 HSD17B10 (0.44) HSD17B10ALDH1A1MPLSLC2A1GAA
SCHEMBL14991138 0.88 HSD17B10 (0.44) HSD17B10MPLSLC2A1GAACA1
SCHEMBL1808453 0.87 CYP2D6 (0.47) HSD17B10ALDH1A1PTGS2SLC2A1GAA
SCHEMBL1803005 0.86 HSD17B10 (0.42) HSD17B10MPLSLC2A1GAACA1
SCHEMBL1804056 0.85 ADRA1A (0.44) HSD17B10SLC2A1GAACA1CA2
SCHEMBL1808211 0.85 PTGS2 (0.52) PTGS2GAACA1CA2
SCHEMBL1804050 0.85 HSD17B10 (0.41) HSD17B10ALDH1A1MPLSLC2A1GAA
SCHEMBL1808452 0.83 HSD17B10 (0.41) HSD17B10PTGS2SLC2A1GAACA1
SCHEMBL1805383 0.82 TAAR1 (0.57) GAAMAPT
SCHEMBL1805381 0.82 HSD17B10 (0.40) HSD17B10PTGS2SLC2A1GAACA1

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 HSD17B10 2848/4885KDM4E 1406/4885ALDH1A1 218/4885

“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.