SCHEMBL1809064

SCHEMBL1809064

NS(=O)(=O)c1ccc(Cl)cc1C[O]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
CA4 P22748 3/20 0.42
CA3 P07451 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA13 Q8N1Q1 1/20 0.42
PTGES2 Q9H7Z7 9/20 0.41
MEN1 O00255 1/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1806670 0.85 PTGES2 (0.44) CA1CA2CA12CA9CA4
SCHEMBL1809065 0.83 PTGS2 (0.49) CA1CA2CA12CA9CA4
Hydrochloric Acid SCHEMBL1016268 0.83 CA1 (0.41) CA1CA2CA12CA9CA4
SCHEMBL16822068 0.81 HTR2A (0.42) CA1CA2CA12CA9CA4
SCHEMBL1808821 0.81 HIF1A (0.39) CA1CA2CA12CA9MEN1
SCHEMBL27493651 0.78 KMT2A (0.58) CA1CA2CA12CA9CA4
SCHEMBL27955576 0.78 CA2 (0.44) CA1CA2CA12CA9CA4
SCHEMBL1808144 0.77 KDM4E (0.44) CA1CA2CA12CA9CA3
SCHEMBL3776806 0.76 CA1 (0.45) CA1CA2CA12CA9CA4
SCHEMBL29587590 0.75 CA1 (0.53) CA1CA2CA12CA9CA4

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 CA1 798/4885CA2 1279/4885CA12 1243/4885

“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.