SCHEMBL1807668

SCHEMBL1807668

COc1cc(CCO)ccc1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
CA14 Q9ULX7 3/20 0.49
CA12 O43570 3/20 0.49
CA5A P35218 2/20 0.49
TAAR1 Q96RJ0 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
CA7 P43166 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
LMNA P02545 2/20 0.47
GLA P06280 1/20 0.47
PKM P14618 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL1803678 0.88 PKM (0.55) CA1CA2CA9CA14CA12
SCHEMBL1807397 0.87 PKM (0.49) CA1CA2CA9CA14CA12
SCHEMBL1805503 0.86 CA5A (0.43) CA1CA2CA9CA14CA12
SCHEMBL1807665 0.86 CA1 (0.54) CA1CA2CA9CA14CA12
SCHEMBL28110078 0.86 TAAR1 (0.63) CA1CA2CA9CA14CA12
SCHEMBL19853514 0.82 PKM (0.50) CA1CA2CA9CA14CA12
SCHEMBL1807393 0.82 PKM (0.50) CA1CA2CA9CA14CA12
SCHEMBL19938065 0.82 PKM (0.50) CA1CA2CA9CA14CA12
SCHEMBL21598806 0.80 GAA (0.49) CA1CA2CA9CA14CA12
SCHEMBL21598826 0.80 GAA (0.65) CA5ATSHRLMNAPKMCYP1A2

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 CA1 798/4885CA2 1279/4885CA9 1071/4885

“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.