SCHEMBL1806014

SCHEMBL1806014

NC(=O)c1c(O)cccc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
CDK2 P24941 1/20 0.44
CA2 P00918 6/20 0.43
CA1 P00915 5/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 4/20 0.43
CA7 P43166 4/20 0.43
CA14 Q9ULX7 4/20 0.43
TTR P02766 1/20 0.43
THRB P10828 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
STAT3 P40763 1/20 0.40
CYP1A2 P05177 2/20 0.36
PIM1 P11309 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
SCHEMBL1809283 0.86 CDK2 (0.55) CDK2CA2CA1CA9CA12
SCHEMBL1804657 0.82 CA12 (0.61) AURKAAURKBCDK2CA2CA1
SCHEMBL8349855 0.81 TTR (0.43) AURKACA2CA1CA9TTR
SCHEMBL1806010 0.81 TTR (0.43) AURKAAURKBCDK2CA2CA1
SCHEMBL1668962 0.79 CA2 (0.59) CDK2CA2CA1CA9CA12
SCHEMBL4591927 0.78 F2 (0.47) CA2CA1CA9CA12TTR
Phenolsulphonic Acid SCHEMBL11055660 0.78 HSD17B10 (0.45) AURKAAURKBCDK2CA2CA1
SCHEMBL28119375 0.77 CYP1A2 (0.40) CA2CA1TTRKDM4EALDH1A1
Phenolsulphonic Acid SCHEMBL9786237 0.76 ALDH1A1 (0.43) AURKAAURKBCDK2CA2CA1
Phenolsulphonic Acid SCHEMBL398816 0.74 AURKA (0.42) AURKAAURKBCDK2CA2CA1

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 AURKA 2276/4885AURKB 3467/4885CDK2 652/4885

“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.