SCHEMBL1808211

SCHEMBL1808211

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
CA2 P00918 9/20 0.48
CA1 P00915 6/20 0.48
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
GAA P10253 1/20 0.46
PDIA6 Q15084 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
SCHEMBL1804435 0.87 CA1 (0.46) PTGS2CA2CA1CA9CA12
SCHEMBL3643588 0.86 CA2 (0.48) CA2CA1CA9CA12GAA
SCHEMBL1803007 0.85 HSD17B10 (0.42) PTGS2CA2CA1GAA
SCHEMBL1808208 0.85 CA2 (0.47) CA2CA1CA9CA12GAA
SCHEMBL5770945 0.82 MAPK1 (0.50) CA2CA1CA9CA12GAA
SCHEMBL1804433 0.82 CA2 (0.44) CA2CA1CA9CA12GAA
SCHEMBL28363919 0.81 CA2 (0.43) CA2CA1CA9CA12GAA
SCHEMBL12499026 0.81 CA2 (0.43) CA2CA1CA9CA12GAA
SCHEMBL29799257 0.79 CA2 (0.49) CA2CA1CA9CA12GAA
SCHEMBL7015694 0.78 MTNR1A (0.52) CA2CA1

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 PTGS2 1638/4885CA2 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.