SCHEMBL1805741

SCHEMBL1805741

COc1c(S(=O)(=O)O)cc(C[NH])cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 1/20 0.31
SLC2A1 P11166 1/20 0.31
PTGS2 P35354 1/20 0.31
CA5A P35218 1/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1803629 0.86 CA12 (0.36) HIF1ACDC25ACDC25BPOLBRECQL
SCHEMBL1803742 0.85 HIF1A (0.36) HIF1ACDC25ACDC25BPOLBRECQL
SCHEMBL1803744 0.83 MAPT (0.49) HIF1ACDC25ACDC25BPOLBRECQL
SCHEMBL1805744 0.81 LOXL2 (0.37) HIF1ACDC25ACDC25BPOLBRECQL
SCHEMBL1806894 0.80 CA12 (0.37) HIF1ACDC25ACDC25BMAPTCA12
SCHEMBL1806892 0.80 CA12 (0.41) HIF1ACDC25ACDC25BPOLBRECQL
SCHEMBL1803632 0.79 HTR2A (0.53) CA12CA1CA2CA9CA14
SCHEMBL1805697 0.79 POLB (0.40) HIF1ACDC25ACDC25BPOLBRECQL
SCHEMBL1807376 0.77 CDC25A (0.52) HIF1ACDC25ACDC25BMAPTCA2
SCHEMBL1804815 0.77 PKM (0.38) HIF1ACDC25ACDC25BMAPTCA12

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 HIF1A 1831/4885CDC25A 746/4885CDC25B 1760/4885

“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.