SCHEMBL101829

SCHEMBL101829

NNc1ccc2ccc(S(=O)(=O)O)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.56
ALDH1A1 P00352 6/20 0.50
CASP6 P55212 4/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NT5E P21589 3/20 0.48
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
NSD2 O96028 2/20 0.44
DUSP3 P51452 2/20 0.44
PTPN5 P54829 2/20 0.44

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
SCHEMBL4250944 0.94 SNCA (0.62) SNCAALDH1A1CASP6HSD17B10CYP2C9
Hydrochloric Acid SCHEMBL31514794 0.93 SNCA (0.60) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL822307 0.84 ALDH1A1 (0.59) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL29381755 0.84 ALDH1A1 (0.59) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL29574227 0.84 ALDH1A1 (0.59) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL8641678 0.83 SNCA (0.57) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL11774462 0.82 ALDH1A1 (0.57) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL3819763 0.82 ALDH1A1 (0.57) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL3825262 0.82 ALDH1A1 (0.57) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL3822707 0.82 ALDH1A1 (0.57) SNCAALDH1A1CASP6HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219932-A1 COMPOUND AND LABELED BIOLOGICAL SUBSTANCE USING THE SAME FUJIFILM CORPORATION (JP) 2023-07-13 US disclosed
US-20230219932-A1 COMPOUND AND LABELED BIOLOGICAL SUBSTANCE USING THE SAME FUJIFILM CORPORATION (JP) 2023-07-13 US disclosed
US-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed
US-9499862-B2 Phospholinked dye analogs with an amino acid linker PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-11-22 US disclosed
US-20150344950-A1 Functionalized Cyanine Dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-12-03 US disclosed
US-20150197794-A1 Phospholinked Dye Analogs with an Amino Acid Linker PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-07-16 US disclosed
US-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 US disclosed
US-8993737-B2 Phospholinked dye analogs with an amino acid linker PACIFIC BIOSCIENCES, INC. (US) 2015-03-31 US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 US disclosed
US-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120052507-A1 PHOSPHOLINKED DYE ANALOGS WITH AN AMINO ACID LINKER PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 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 (4 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-20120052507-A1 PHOSPHOLINKED DYE ANALOGS WITH AN AMINO ACID LINKER CHAMP1, MTAP, INCENP SNCA 4052/4885ALDH1A1 1938/4885CASP6 2142/4885
US-20230219932-A1 COMPOUND AND LABELED BIOLOGICAL SUBSTANCE USING THE SAME BMP1, BMP2, NPSR1 SNCA 4263/4885ALDH1A1 644/4885CASP6 1386/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR SNCA 3626/4885ALDH1A1 1508/4885CASP6 1910/4885
US-20150197794-A1 Phospholinked Dye Analogs with an Amino Acid Linker INCENP, CHAMP1, PNKP SNCA 3927/4885ALDH1A1 2694/4885CASP6 2060/4885

“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.