SCHEMBL1809421

SCHEMBL1809421

Cc1c(C[O])cccc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.41
CA1 P00915 8/20 0.41
CA9 Q16790 8/20 0.41
CA6 P23280 3/20 0.41
CA4 P22748 3/20 0.41
CA12 O43570 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA5B Q9Y2D0 2/20 0.41
CYP2C9 P11712 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
STAT3 P40763 1/20 0.36

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
SCHEMBL1806645 0.85 CA2 (0.39) CA2CA1CA9CA6CA4
SCHEMBL1809423 0.83 CDK2 (0.47) CA2CA1CA9CA6CA4
SCHEMBL15352818 0.81 GABRA1 (0.46) CA2CA1CA9CA6CA4
SCHEMBL10808580 0.81 CA2 (0.52) CA2CA1CA9CA6CA4
SCHEMBL1806994 0.81 MYC (0.41) CDK2
SCHEMBL1806647 0.80 CA2 (0.41) CA2CA1CA9CA6CA4
SCHEMBL1804257 0.79 CA2 (0.52) CA2CA1CA9CA6CA4
SCHEMBL31370840 0.78 CA2 (0.61) CA2CA1CA9CA6CA4
SCHEMBL8480118 0.78 CA2 (0.61) CA2CA1CA9CA6CA4
SCHEMBL24669106 0.78 CA2 (0.39) CA2CA1CA9CA6CA4

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.