SCHEMBL1808443

SCHEMBL1808443

NS(=O)(=O)c1cccc2cccc([O])c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.55
CA1 P00915 11/20 0.55
CA9 Q16790 10/20 0.55
MAPK1 P28482 1/20 0.48
CA12 O43570 8/20 0.45
CA6 P23280 3/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA4 P22748 2/20 0.45
CYP2C9 P11712 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CDK2 P24941 1/20 0.44
STAT3 P40763 1/20 0.39
CES2 O00748 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
MCL1 Q07820 1/20 0.38
F2 P00734 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
SCHEMBL1809155 0.81 TTR (0.53) CA2CA1CA9MAPK1CDK2
SCHEMBL1808445 0.78 CDK2 (0.59) CA2CA1CA9MAPK1CA12
SCHEMBL15172852 0.78 CA2 (0.61) CA2CA1CA9MAPK1CA12
SCHEMBL1806910 0.77 ALDH1A1 (0.43) CA2CA1CA9MAPK1CA12
SCHEMBL1808913 0.77 CA2 (0.58) CA2CA1CA9MAPK1CA12
SCHEMBL888368 0.75 ALDH1A1 (0.53) MAPK1CES2ALDH1A1BCHECES1
SCHEMBL3145617 0.75 CA2 (0.74) CA2CA1CA9MAPK1CA12
SCHEMBL1804968 0.75 CA1 (0.47) CA2CA1CA9MAPK1CA12
SCHEMBL1804410 0.74 CDK2 (0.64) CA2CA1CA9MAPK1CA12
SCHEMBL23909578 0.72 CA2 (0.48) CA2CA1CA9MAPK1CA12

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.