SCHEMBL4259013

SCHEMBL4259013

O=S(=O)(O)c1ccc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
PLAU P00749 1/20 0.38
FDPS P14324 1/20 0.37
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
RAB9A P51151 4/20 0.35
MEN1 O00255 3/20 0.35

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 SCHEMBL27819072 0.98 ALDH1A1 (0.44) ALDH1A1KDM4EADRA2AADRA2BADRA2C
Dimethylformamide SCHEMBL27751955 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL21510181 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL7772460 0.78 CA2 (0.61) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL386709 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL714154 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL4543420 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL31527795 0.77 CA2 (0.59) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL8119449 0.76 LMNA (0.44) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL8847357 0.76 KDM4E (0.61) ALDH1A1KDM4ELMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101511825-A Imidazol-pyrimidine derivatives for treatment of diseases related to glycogen synthase kinase (GSK3) ASTRAZENECA AB (SE) 2009-08-19 CN claimed
EP-2046782-A2 IMIDAZOLYLPYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) Astra Zeneca AB (SE) 2009-04-15 EP claimed
WO-2008002244-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 WO claimed
CN-119350233-A Preparation method of aryl sulfonic acid compound 上海麦克林生化科技股份有限公司 2025-01-24 CN disclosed
WO-2020108579-A1 AMINO-SUBSTITUTED PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-06-04 WO disclosed
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
EP-3145912-A1 BENZENE SULFONAMIDE DERIVATIVES AND THEIR USE AS RORC MODULATORS F. Hoffmann-La Roche AG (CH) 2017-03-29 EP disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-9382222-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-07-05 US disclosed
US-9302985-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-04-05 US disclosed
WO-2014090712-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-19 WO disclosed
WO-2014090710-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-19 WO disclosed
US-20140163024-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2014-06-12 US disclosed
US-20140163110-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2014-06-12 US disclosed
EP-2471363-A1 Use of aryl-, heteroaryl- and benzylsulfonamide carboxylic acids, -carboxylic acid esters, -carboxylic acid amides and -carbonitriles and/or its salts for increasing stress tolerance in plants Bayer CropScience AG (DE) 2012-07-04 EP disclosed
CN-101511825-A Imidazol-pyrimidine derivatives for treatment of diseases related to glycogen synthase kinase (GSK3) ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-2046782-A2 IMIDAZOLYLPYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) Astra Zeneca AB (SE) 2009-04-15 EP disclosed
US-20080188502-A1 New Compounds I ASTRAZENECA AB (SE) 2008-08-07 US disclosed
WO-2008002244-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 WO 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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 190/4885KDM4E 3223/4885ADRA2A 3747/4885
US-20080188502-A1 New Compounds I SLC10A1, REN, SLC5A1 ALDH1A1 363/4885KDM4E 3331/4885ADRA2A 1580/4885
US-20140163110-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB ALDH1A1 1126/4885KDM4E 1807/4885ADRA2A 437/4885
US-20140163024-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB ALDH1A1 1145/4885KDM4E 1646/4885ADRA2A 522/4885

“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.