SCHEMBL1804384

SCHEMBL1804384

NS(=O)(=O)c1ccc(CCCC[O])cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.70
SMN1; SMN2 Q16637 1/20 0.67
CA1 P00915 13/20 0.62
CA12 O43570 10/20 0.62
CA9 Q16790 10/20 0.62
CA4 P22748 6/20 0.62
CA6 P23280 4/20 0.62
CA5A P35218 4/20 0.62
CA7 P43166 4/20 0.62
CA14 Q9ULX7 4/20 0.62
CA5B Q9Y2D0 4/20 0.62
MAPT P10636 1/20 0.53

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
SCHEMBL1805394 0.94 CA2 (0.69) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL1804221 0.85 CA2 (0.69) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL10431754 0.82 CA2 (0.68) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL1804386 0.82 CA2 (1.00) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL607046 0.82 CA2 (1.00) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL9683336 0.82 CA2 (0.77) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL11730795 0.81 CA2 (0.69) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL78265 0.81 CA2 (0.96) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL17817182 0.81 CA2 (0.96) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL10661919 0.81 CA2 (0.96) CA2SMN1; SMN2CA1CA12CA9

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 1279/4885SMN1; SMN2 1683/4885CA1 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.