SCHEMBL1804572

SCHEMBL1804572

Cc1cccc(S(N)(=O)=O)c1CCO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.41
CA1 P00915 13/20 0.41
CA9 Q16790 12/20 0.41
CA12 O43570 7/20 0.41
CA4 P22748 4/20 0.41
CA7 P43166 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CDK2 P24941 1/20 0.41
CYP2C9 P11712 1/20 0.37
STAT3 P40763 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 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
SCHEMBL1807209 0.86 CDK2 (0.43) CA2CA1CA9CA12CA4
SCHEMBL1804570 0.84 CA2 (0.41) CA2CA1CA9CA12CA4
SCHEMBL1806784 0.84 MYC (0.39) CA2CA1CA9CA12KDM4E
SCHEMBL31344732 0.81 CA2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL1807206 0.80 CA2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL1805638 0.79 PTGES2 (0.43) CA2CA1CA9CA12CA4
SCHEMBL28826120 0.79 PTGES2 (0.45) CA2CA1CA9CA12CA5A
SCHEMBL1805161 0.78 CA2 (0.40) CA2CA1CA9CA12CA4
SCHEMBL3365956 0.77 ALDH1A1 (0.44) CA2CA1CA9CA7KDM4E
SCHEMBL1806647 0.76 CA2 (0.41) 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.