SCHEMBL1804433

SCHEMBL1804433

COc1ccc(S(N)(=O)=O)c(CC[O])c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.44
CA1 P00915 7/20 0.44
CA9 Q16790 4/20 0.44
CA12 O43570 3/20 0.44
GAA P10253 1/20 0.44
PDIA6 Q15084 1/20 0.43
CA5A P35218 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ADRA1A P35348 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5770945 0.87 MAPK1 (0.50) CA2CA1CA9CA12GAA
SCHEMBL1808208 0.87 CA2 (0.47) CA2CA1CA9CA12GAA
SCHEMBL12499026 0.86 CA2 (0.43) CA2CA1CA9CA12GAA
SCHEMBL28363919 0.86 CA2 (0.43) CA2CA1CA9CA12GAA
SCHEMBL1804435 0.86 CA1 (0.46) CA2CA1CA9CA12GAA
SCHEMBL3643588 0.85 CA2 (0.48) CA2CA1CA9CA12GAA
SCHEMBL1808452 0.84 HSD17B10 (0.41) CA2CA1GAAADRA1ATAAR1
SCHEMBL29163149 0.83 MTNR1A (0.44) CA2CA1CA9CA12GAA
SCHEMBL1808211 0.82 PTGS2 (0.52) CA2CA1CA9CA12GAA
SCHEMBL29163148 0.82 HTR2A (0.43) CA2CA1CA9CA12GAA

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 CA2 1279/4885CA1 798/4885CA9 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.