SCHEMBL1807660

SCHEMBL1807660

COc1c(CC[O])cc(S(N)(=O)=O)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.36
CA2 P00918 9/20 0.36
CA9 Q16790 5/20 0.36
CA12 O43570 4/20 0.36
USP2 O75604 1/20 0.35
APEX1 P27695 2/20 0.35
CYP2C19 P33261 1/20 0.35
CA14 Q9ULX7 3/20 0.35
CA4 P22748 3/20 0.35
CA7 P43166 3/20 0.35
LMNA P02545 4/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C9 P11712 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL1804155 0.90 APEX1 (0.42) CA1CA2CA9CA12USP2
SCHEMBL1807662 0.89 CA2 (0.38) CA1CA2CA9CA12USP2
SCHEMBL1807819 0.89 CA1 (0.35) CA1CA2CA9CA12USP2
SCHEMBL1802444 0.88 CA1 (0.38) CA1CA2CA9CA12USP2
SCHEMBL1802446 0.85 MAPT (0.41) CA1CA2CA9CA12USP2
SCHEMBL1803296 0.81 APEX1 (0.38) CA1CA2CA9CA12APEX1
SCHEMBL1804156 0.79 APEX1 (0.41) CA1CA2CA9CA12USP2
SCHEMBL1807483 0.77 APEX1 (0.44) CA1CA2CA9CA12USP2
SCHEMBL1806209 0.77 LCK (0.32) SMN1; SMN2SLC2A1
SCHEMBL1807822 0.77 CA2 (0.35) CA1CA2CA9CA12USP2

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 1279/4885CA9 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.