SCHEMBL12376754

SCHEMBL12376754

COc1cccc(S(=O)(=O)NC(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.57
NFE2L2 Q16236 2/20 0.57
FFAR4 Q5NUL3 1/20 0.57
ALDH1A1 P00352 1/20 0.55
PGR P06401 2/20 0.55
MEP1B Q16820 1/20 0.54
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
GLO1 Q04760 1/20 0.49
SLC40A1 Q9NP59 1/20 0.49
PGAM1 P18669 1/20 0.48
RORA P35398 1/20 0.48
RORC P51449 1/20 0.48
NR1H2 P55055 1/20 0.48
KAT6A Q92794 1/20 0.48
ALPL P05186 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL9866621 0.84 ALDH1A1 (0.46) KEAP1NFE2L2FFAR4ALDH1A1PGR
SCHEMBL16000127 0.84 PGR (0.56) ALDH1A1PGRKAT6A
SCHEMBL4620675 0.83 ADAMTS4 (0.55) KEAP1NFE2L2FFAR4PGRMEP1B
SCHEMBL4620884 0.83 ADAMTS4 (0.55) KEAP1NFE2L2FFAR4PGRMEP1B
SCHEMBL4619809 0.83 ADAMTS4 (0.55) KEAP1NFE2L2FFAR4PGRMEP1B
SCHEMBL28097814 0.81 ALDH1A1 (0.43) KEAP1NFE2L2FFAR4ALDH1A1PGR
SCHEMBL12561642 0.81 KEAP1 (0.62) KEAP1NFE2L2FFAR4ALDH1A1PGR
SCHEMBL29909928 0.81 KEAP1 (0.62) KEAP1NFE2L2FFAR4ALDH1A1PGR
SCHEMBL6774257 0.80 MEP1B (0.57) KEAP1NFE2L2FFAR4ALDH1A1PGR
SCHEMBL421587 0.79 KEAP1 (0.60) KEAP1NFE2L2FFAR4ALDH1A1PGR

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
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC KEAP1 3118/4885NFE2L2 1709/4885FFAR4 2163/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 KEAP1 3764/4885NFE2L2 3466/4885FFAR4 759/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 KEAP1 3764/4885NFE2L2 3466/4885FFAR4 759/4885
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 KEAP1 117/4885NFE2L2 282/4885FFAR4 3970/4885

“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.