SCHEMBL1808413

SCHEMBL1808413

COc1ccc(S(N)(=O)=O)cc1CC[O]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
CA2 P00918 7/20 0.48
CA1 P00915 6/20 0.48
CA9 Q16790 6/20 0.48
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
CA12 O43570 3/20 0.47
CA4 P22748 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CA5A P35218 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SOS1 Q07889 1/20 0.44
CA7 P43166 1/20 0.43

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
SCHEMBL7904729 0.87 CA2 (0.50) GAALMNACA2CA1CA9
SCHEMBL1808166 0.87 GAA (0.51) GAALMNACA2CA1CA9
SCHEMBL1808414 0.86 GAA (0.51) GAALMNACA2CA1CA9
SCHEMBL7901708 0.85 GAA (0.52) GAALMNACA2CA1CA9
SCHEMBL1807097 0.84 CASR (0.45) LMNACA2CA1CA9CA12
SCHEMBL2851142 0.83 GAA (0.51) GAALMNACA2CA1CA9
SCHEMBL1808168 0.82 GAA (0.54) GAALMNACA2CA1CA9
SCHEMBL11516151 0.82 GAA (0.50) GAALMNACA2CA1CA9
SCHEMBL12545632 0.79 GAA (0.57) GAALMNACA2CA1CA9
SCHEMBL24478022 0.78 GABRA1 (0.49) GAALMNACA2CA1CA9

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 GAA 2451/4885LMNA 1431/4885CA2 1279/4885

“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.