SCHEMBL1805744

SCHEMBL1805744

COc1c(S(=O)(=O)O)cc(CN)cc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.37
LOX P28300 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSIP1 O75475 1/20 0.32
SPIN1 Q9Y657 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 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
SCHEMBL1803632 0.86 HTR2A (0.53) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL1803742 0.85 HIF1A (0.36) CA1CA2CA9CA12CA14
SCHEMBL1803744 0.83 MAPT (0.49) CA1CA2CA9CA12CA14
SCHEMBL1805741 0.81 HIF1A (0.35) CA1CA2CA9CA12CA14
SCHEMBL1804815 0.81 PKM (0.38) CA1CA2CA9CA12CA14
SCHEMBL1806894 0.80 CA12 (0.37) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL1806892 0.80 CA12 (0.41) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL1804817 0.80 MAPT (0.42) CA1CA2CA9CA12CA14
SCHEMBL1803629 0.79 CA12 (0.36) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL1805703 0.79 POLB (0.36) LOXL2CA1CA2CA9CA12

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 LOXL2 1747/4885LOX 1617/4885HTR2A 3632/4885

“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.