SCHEMBL1805337

SCHEMBL1805337

[O]c1ccc(Cl)c2cccc(S(=O)(=O)O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.43
SNCA P37840 2/20 0.40
CHAT P28329 1/20 0.40
CYP1A2 P05177 9/20 0.39
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
ERCC1 P07992 1/20 0.39
ALOX12 P18054 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
TYMS P04818 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ATIC P31939 1/20 0.37
FABP4 P15090 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK14 Q16539 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
SCHEMBL14059358 0.87 TTR (0.47) TTRSNCACHATCYP1A2TSHR
SCHEMBL1804989 0.84 CA2 (0.47) CYP1A2TSHRTDP1MAPTPOLB
SCHEMBL11147033 0.84 AURKB (0.53) TTRSNCACHATCYP1A2POLB
SCHEMBL1805338 0.83 AURKA (0.49) TTRSNCACHATCYP1A2TSHR
SCHEMBL17212143 0.81 TTR (0.42) TTRSNCACHATCYP1A2TSHR
SCHEMBL14059289 0.81 TTR (0.42) TTRSNCACHATCYP1A2TSHR
SCHEMBL9757298 0.78 AURKA (0.55) TTRSNCACHATCYP1A2TSHR
SCHEMBL1809341 0.78 TTR (0.46) TTRSNCACHATCYP1A2TSHR
SCHEMBL11759338 0.76 ALDH1A1 (0.46) TTRCYP1A2TDP1MAPTPOLB
SCHEMBL10424564 0.76 ATIC (0.52) TTRSNCACHATCYP1A2TSHR

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 594/4885SNCA 1203/4885CHAT 2619/4885

“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.