SCHEMBL2618019

SCHEMBL2618019

N#[N+]c1cc(S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 4/20 0.40
CASP6 P55212 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
TIMP3 P35625 2/20 0.38
TSHR P16473 3/20 0.38
NT5E P21589 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SNCA P37840 2/20 0.34
MEN1 O00255 1/20 0.33

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
Hydrochloric Acid SCHEMBL3425440 0.83 TIMP3 (0.40) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL15780352 0.79 SNCA (0.39) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL27904286 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL6228387 0.77 ALDH1A1 (0.38) ALDH1A1HSD17B10CASP6LMNATSHR
SCHEMBL30084548 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL5409149 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL10628970 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL8301266 0.74 MYC (0.40) ALDH1A1CASP6CYP2C9TSHRTDP1
SCHEMBL564182 0.73 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3383190 0.73 ALDH1A1 (0.47) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802829-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-08-12 US disclosed
US-8772545-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-07-08 US disclosed
US-8664371-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-03-04 US disclosed
US-8653247-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-02-18 US disclosed
US-20120289739-A1 Rinsable Dyes and Methods for their Preparation Spectra Colors Corp. 2012-11-15 US disclosed
US-20120226030-A1 Rinsable Dyes and Methods for their Preparation Spectra Colors Corp. 2012-09-06 US disclosed
US-20120101264-A1 Rinsable dyes and methods for their preparation Spectra Colors Corp. 2012-04-26 US disclosed
US-20120004400-A1 Rinsable dyes and methods for their preparation Spectra Colors Corp. 2012-01-05 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 (3 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-20120289739-A1 Rinsable Dyes and Methods for their Preparation ARSA, HNRNPUL1, ALKBH1 ALDH1A1 196/4885HSD17B10 3288/4885CASP6 929/4885
US-20120226030-A1 Rinsable Dyes and Methods for their Preparation ARSA, HNRNPUL1, ALKBH1 ALDH1A1 196/4885HSD17B10 3288/4885CASP6 929/4885
US-20120101264-A1 Rinsable dyes and methods for their preparation ARSA, HNRNPUL1, ALKBH1 ALDH1A1 196/4885HSD17B10 3288/4885CASP6 929/4885

“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.