SCHEMBL1806647

SCHEMBL1806647

Cc1c(CCO)cccc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.41
CA1 P00915 9/20 0.41
CA9 Q16790 7/20 0.41
CA12 O43570 4/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CDK2 P24941 1/20 0.41
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
STAT3 P40763 1/20 0.37
PTGES2 Q9H7Z7 2/20 0.36
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL24669105 0.90 CA2 (0.44) CA2CA1CA9CA12CA4
SCHEMBL1809423 0.86 CDK2 (0.47) CA2CA1CA9CA12CA4
SCHEMBL1806645 0.84 CA2 (0.39) CA2CA1CA9CA12CA4
SCHEMBL1807475 0.84 MYC (0.39) CA2CA1CA9CA12CA4
SCHEMBL623822 0.82 CA2 (0.47) CA2CA1CA9CA12CA4
SCHEMBL29704117 0.82 CA2 (0.47) CA2CA1CA9CA12CA4
SCHEMBL31344732 0.81 CA2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL1809421 0.80 CA2 (0.41) CA2CA1CA9CA12CA4
SCHEMBL24669106 0.80 CA2 (0.39) CA2CA1CA9CA12CA4
SCHEMBL1806548 0.79 CA1 (0.47) CA2CA1CA9CA12CA4

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.