SCHEMBL16050461

SCHEMBL16050461

Cc1ccc(S(=O)(=O)OCc2cccc(C=O)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP24A1 Q07973 2/20 0.35
C5AR1 P21730 1/20 0.35
G6PD P11413 1/20 0.35
VDR P11473 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ESR1 P03372 1/20 0.35
GAA P10253 1/20 0.35
ESR2 Q92731 1/20 0.35
STAT3 P40763 1/20 0.34
CD4 P01730 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL25318427 0.87 KEAP1 (0.44) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL17536027 0.83 KDM4E (0.39) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL17536025 0.83 KDM4E (0.39) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL16050463 0.81 KEAP1 (0.40) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL3645222 0.81 KEAP1 (0.40) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL17258376 0.78 ALDH1A1 (0.36) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL16050543 0.76 PSMD10 (0.39) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL3777059 0.74 SYK (0.50) ALDH1A1KDM4EKMT2ALMNAPTGS2
SCHEMBL29995677 0.74 SYK (0.50) ALDH1A1KDM4EKMT2ALMNAPTGS2
SCHEMBL30041498 0.74 KDM4E (0.50) KEAP1NFE2L2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945838-B2 Method for synthesis of protein amphiphiles INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH (IN) 2024-04-02 US disclosed
US-20200199175-A1 METHOD FOR SYNTHESIS OF PROTEIN AMPHIPHILES INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH 2020-06-25 US disclosed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US disclosed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO disclosed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 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-20200199175-A1 METHOD FOR SYNTHESIS OF PROTEIN AMPHIPHILES PTMS, VAC14, PDIA6 KEAP1 1579/4885NFE2L2 4416/4885ALDH1A1 4784/4885
US-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B KEAP1 447/4885NFE2L2 2339/4885ALDH1A1 1424/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KEAP1 447/4885NFE2L2 2339/4885ALDH1A1 1424/4885
US-11945838-B2 Method for synthesis of protein amphiphiles PTMS, VAC14, PDIA6 KEAP1 1579/4885NFE2L2 4416/4885ALDH1A1 4784/4885

“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.