SCHEMBL5193607

SCHEMBL5193607

NNc1ccc(S(=O)(=O)O)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
S1PR3 Q99500 1/20 0.44
METAP2 P50579 5/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ACLY P53396 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM1A O60341 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40

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
SCHEMBL5319368 0.88 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHPGDS1PR3
SCHEMBL3102462 0.86 CA2 (0.59) ALDH1A1HSD17B10KDM4EHPGDCA1
SCHEMBL9189150 0.84 KDM4E (0.57) ALDH1A1HSD17B10KDM4EHPGDS1PR3
SCHEMBL17629883 0.84 LMNA (0.60) ALDH1A1HSD17B10KDM4EHPGDMETAP2
SCHEMBL9680173 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EHPGDS1PR3
SCHEMBL3319072 0.80 KDM4E (0.53) ALDH1A1HSD17B10KDM4EHPGDS1PR3
SCHEMBL18268219 0.80 HSD17B10 (0.53) ALDH1A1HSD17B10KDM4EHPGDS1PR3
SCHEMBL21589350 0.79 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDCA1
SCHEMBL6560313 0.79 HSD17B10 (0.69) ALDH1A1HSD17B10KDM4EHPGDS1PR3
SCHEMBL61251 0.79 HSD17B10 (0.69) ALDH1A1HSD17B10KDM4EHPGDS1PR3

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230358732-A1 METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALDEHYDES UNIVERSITY OF OTTAWA (CA) 2023-11-09 US disclosed
US-20230358732-A1 METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALDEHYDES UNIVERSITY OF OTTAWA (CA) 2023-11-09 US disclosed
US-11696960-B2 Methods and compounds for detection and binding of aldehydes UNIVERSITY OF OTTAWA (CA) 2023-07-11 US disclosed
US-11696960-B2 Methods and compounds for detection and binding of aldehydes UNIVERSITY OF OTTAWA (CA) 2023-07-11 US disclosed
US-20200376144-A1 METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALDEHYDES UNIVERSITY OF OTTAWA (CA) 2020-12-03 US disclosed
WO-2018141069-A1 METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALEDHYDES UNIVERSITY OF OTTAWA (CA) 2018-08-09 WO disclosed
EP-1631632-B1 INKS CONTAINING WATER-SOLUBLE PERYLENE DYES AND THEIR USE IN INK-JET PRINTING FUJIFILM IMAGING COLORANTS LTD (GB) 2007-09-05 EP disclosed
US-7214259-B2 Inks containing water-soluble perylene dyes and their use in ink-jet printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-05-08 US disclosed
US-20060272546-A1 Inks containing water-soluble perylene dyes and their use in ink-jet printing AVECIA LIMITED (GB) 2006-12-07 US disclosed
EP-1631632-A1 INKS CONTAINING WATER-SOLUBLE PERYLENE DYES AND THEIR USE IN INK-JET PRINTING Avecia Inkjet Limited (GB) 2006-03-08 EP disclosed
EP-0028787-B1 COPPER-FORMAZANE COMPOUNDS, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-11 EP disclosed
EP-0021351-B1 FORMAZAN REACTIVE BLUE DYES, A PROCESS FOR THEIR PREPARATION AND A PROCESS FOR DYEING CELLULOSE FIBERS THEREWITH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-04-20 EP disclosed
EP-0028788-B1 COPPER COMPLEX FORMAZANE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-26 EP disclosed
US-4370145-A Copper formazan compounds, processes for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-25 US disclosed
US-4336190-A Copper complex formazan compounds, process for their manufacture and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-22 US disclosed
EP-0040806-A2 Water-soluble, coloured compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-02 EP disclosed
EP-0028788-A1 Copper complex formazane compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-05-20 EP disclosed
EP-0028787-A2 Copper-formazane compounds, process for their production, and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-05-20 EP disclosed
EP-0021351-A1 Formazan reactive blue dyes, a process for their preparation and a process for dyeing cellulose fibers therewith SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-07 EP disclosed
US-4158003-A FOR NATURAL AND REGENERATED CELLULOSE CIBA-GEIGY AG (CH) 1979-06-12 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-20060272546-A1 Inks containing water-soluble perylene dyes and their use in ink-jet printing RB1, CTNND1, ARAF ALDH1A1 2888/4885HSD17B10 3698/4885KDM4E 1356/4885
US-20230358732-A1 METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALDEHYDES ALDH16A1, CRAT, ALDH1A1 ALDH1A1 3/4885HSD17B10 334/4885KDM4E 4134/4885
US-11696960-B2 Methods and compounds for detection and binding of aldehydes ALDH2, ALDH16A1, ALDH1B1 ALDH1A1 4/4885HSD17B10 312/4885KDM4E 3091/4885
US-20200376144-A1 METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALDEHYDES ALDH2, ALDH16A1, ALDH1B1 ALDH1A1 4/4885HSD17B10 309/4885KDM4E 3107/4885

“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.