SCHEMBL1809228

SCHEMBL1809228

NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 20/20 1.00
CA2 P00918 20/20 1.00
CA12 O43570 19/20 1.00
CA9 Q16790 19/20 1.00
CA3 P07451 15/20 1.00
CA6 P23280 15/20 1.00
CA7 P43166 15/20 1.00
CA5B Q9Y2D0 15/20 1.00
CA4 P22748 14/20 1.00
CA13 Q8N1Q1 14/20 1.00
CA14 Q9ULX7 14/20 1.00
CA5A P35218 11/20 1.00
CISD1 Q9NZ45 1/20 0.73

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
SCHEMBL10499690 0.90 CA1 (0.82) CA1CA2CA12CA9CA3
Water SCHEMBL10498914 0.89 CA1 (0.79) CA1CA2CA12CA9CA3
SCHEMBL10575436 0.85 CA1 (0.74) CA1CA2CA12CA9CA3
SCHEMBL1807126 0.85 CA1 (0.73) CA1CA2CA12CA9CA3
SCHEMBL31717970 0.85 CA12 (1.00) CA1CA2CA12CA9CA3
SCHEMBL10685397 0.85 CA12 (0.73) CA1CA2CA12CA9CA3
SCHEMBL574023 0.85 CA12 (1.00) CA1CA2CA12CA9CA3
SCHEMBL15076647 0.84 CA1 (0.72) CA1CA2CA12CA9CA3
SCHEMBL13284043 0.84 CA1 (0.72) CA1CA2CA12CA9CA3
SCHEMBL1809225 0.83 CA12 (0.71) CA1CA2CA12CA9CA3

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 4 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
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed
US-4001284-A PRIMARY AMINES, 2,4-DIPHENOXY-5-SULFAMOYLBENZOIC ACID HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-04 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.