SCHEMBL1806889

SCHEMBL1806889

NS(=O)(=O)c1ccc(CCC[O])c(S(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.50
CYP2C19 P33261 2/20 0.41
APEX1 P27695 1/20 0.41
CA1 P00915 6/20 0.41
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
CA7 P43166 4/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA5B Q9Y2D0 3/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1803163 0.95 CA2 (0.49) CA2CYP2C19APEX1CA1CA12
SCHEMBL1808346 0.89 CA2 (0.45) CA2CYP2C19APEX1CA1CA12
SCHEMBL1805956 0.89 CA2 (0.50) CA2CYP2C19CA1CA12CA9
SCHEMBL1806278 0.89 CA2 (0.43) CA2CYP2C19APEX1CA1CA12
SCHEMBL1806891 0.85 CA2 (0.69) CA2CA1CA12CA9CA7
SCHEMBL1809234 0.84 CA2 (0.42) CA2CYP2C19APEX1CA1CA12
SCHEMBL1806450 0.84 CA2 (0.49) CA2CYP2C19CA1CA12CA9
SCHEMBL1803166 0.83 CA2 (0.63) CA2CA1CA12CA9CA7
SCHEMBL1808222 0.82 APEX1 (0.47) CA2CYP2C19APEX1CA1CA12
SCHEMBL1807079 0.81 PTGES2 (0.43) CA2CA1CA12CA9CA7

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 1279/4885CYP2C19 887/4885APEX1 2122/4885

“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.