SCHEMBL1806871

SCHEMBL1806871

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CA2 P00918 7/20 0.41
CA1 P00915 6/20 0.41
CA9 Q16790 6/20 0.41
CA12 O43570 4/20 0.41
CA14 Q9ULX7 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA5A P35218 2/20 0.41
CA6 P23280 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PKM P14618 2/20 0.41
PTGES2 Q9H7Z7 4/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.35
STAT3 P40763 1/20 0.35
LMNA P02545 1/20 0.35

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 0.93 MAPT (0.42) MAPTCA2CA1CA9CA12
SCHEMBL31296547 0.89 MAPT (0.41) MAPTCA2CA1CA9CA12
SCHEMBL1805733 0.86 CA2 (0.44) MAPTCA2CA1CA9CA12
SCHEMBL1806868 0.85 PKM (0.43) CA2CA1CA9CA12CA14
SCHEMBL1803744 0.83 MAPT (0.49) MAPTCA2CA1CA9CA12
SCHEMBL1804815 0.81 PKM (0.38) MAPTCA2CA1CA9CA12
SCHEMBL1805357 0.80 CA2 (0.40) MAPTCA2CA1CA9CA12
SCHEMBL1805730 0.80 CA1 (0.47) CA2CA1CA9CA12CA14
SCHEMBL1810995 0.79 CA2 (0.45) CA2CA1CA9CA12CA14
SCHEMBL1807384 0.77 PKM (0.58) CA2CA1CA9CA12CA14

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 2252/4885CA2 1279/4885CA1 798/4885

“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.