SCHEMBL1806010

SCHEMBL1806010

NC(=O)c1c([O])cccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.43
CYP1A2 P05177 2/20 0.36
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
TSHR P16473 3/20 0.33
PARP1 P09874 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 2/20 0.33
MYC P01106 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CDK2 P24941 2/20 0.33
FABP4 P15090 1/20 0.33
CCNA2 P20248 1/20 0.33
MAPK14 Q16539 1/20 0.33
NR4A1 P22736 1/20 0.32
F2 P00734 3/20 0.32
PRSS1 P07477 3/20 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
SCHEMBL1809282 0.85 CA2 (0.44) CA2CA1CA9CDK2
SCHEMBL1804654 0.82 CA1 (0.40) TTRCYP1A2TSHRHSD17B10TDP1
SCHEMBL1806014 0.81 AURKA (0.45) TTRCYP1A2AURKAAURKBTSHR
SCHEMBL8349855 0.81 TTR (0.43) TTRCYP1A2AURKATSHRPARP1
SCHEMBL4591927 0.78 F2 (0.47) TTRCYP1A2TSHRHSD17B10TDP1
SCHEMBL28119375 0.77 CYP1A2 (0.40) TTRCYP1A2PARP1ALDH1A1CA2
SCHEMBL27811879 0.74 F2 (0.44) TTRCYP1A2TSHRHSD17B10TDP1
SCHEMBL13182868 0.73 CA1 (0.46) TTRCYP1A2TSHRHSD17B10TDP1
SCHEMBL8605037 0.73 TTR (0.45) TTRCYP1A2AURKAAURKBTSHR
SCHEMBL1373436 0.72 TSHR (0.46) TTRCYP1A2TSHRTDP1ALDH1A1

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 TTR 594/4885CYP1A2 487/4885AURKA 2276/4885

“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.