SCHEMBL14201531

SCHEMBL14201531

Cc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
TTR P02766 2/20 0.50
SNCA P37840 2/20 0.46
CYP1A2 P05177 4/20 0.43
CHAT P28329 1/20 0.42
ATIC P31939 2/20 0.41
SUMO2 P61956 2/20 0.41
SUMO1 P63165 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP2 Q9HC62 2/20 0.41
COMT P21964 1/20 0.40
MYC P01106 1/20 0.40
HSD17B10 Q99714 2/20 0.38
CDK2 P24941 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
FABP4 P15090 1/20 0.38
CCNA2 P20248 1/20 0.38

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
SCHEMBL22511324 0.91 AURKA (0.53) AURKAAURKBTTRSNCACYP1A2
SCHEMBL15430100 0.80 MEN1 (0.40) AURKAAURKBTTRSNCASUMO2
SCHEMBL11147033 0.79 AURKB (0.53) AURKAAURKBTTRSNCACYP1A2
SCHEMBL2932464 0.79 AURKB (0.67) AURKAAURKBTTRSNCACYP1A2
SCHEMBL13515233 0.79 ALDH1A1 (0.51) TTRSNCACHATCDK2ALDH1A1
SCHEMBL7037649 0.79 AURKA (0.49) AURKAAURKBTTRSNCACYP1A2
SCHEMBL4510654 0.79 TTR (0.60) AURKAAURKBTTRSNCACYP1A2
SCHEMBL2662857 0.79 CYP1A2 (0.54) AURKAAURKBTTRCYP1A2ATIC
SCHEMBL30822934 0.78 AURKA (0.75) AURKAAURKBTTRSNCACYP1A2
SCHEMBL159398 0.78 AURKB (0.51) AURKAAURKBTTRSNCACYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10177315-B2 Arylsulfonic acid compound, use thereof, and method for producing arylsulfonic acid compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-08 US disclosed
US-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
EP-3056484-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND Nissan Chemical Industries, Ltd. (JP) 2016-08-17 EP disclosed
US-7351808-B2 Anionic monoazo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-01 US disclosed
US-7351808-B2 Anionic monoazo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-01 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 (2 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-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND ARSA, SULT2A1, SULT1A1 AURKA 3055/4885AURKB 3233/4885TTR 3323/4885
US-10177315-B2 Arylsulfonic acid compound, use thereof, and method for producing arylsulfonic acid compound ARSA, SULT2A1, SULT1A1 AURKA 3055/4885AURKB 3233/4885TTR 3323/4885

“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.