Sugi Predict

Sugi Predict / Compounds / SCHEMBL20575792

SCHEMBL20575792

SCHEMBL20575792

COc1nc(NS(=O)(=O)c2ccccc2C)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 5/20 0.46
▸ EDNRB P24530 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CCR4 P51679 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.42
▸ PKM P14618 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30634072 1.00 EDNRA (0.46) EDNRAEDNRBALDH1A1RXFP1L3MBTL1
SCHEMBL20576673 0.87 KDM4E (0.49) EDNRAALDH1A1RXFP1CCR4KDM4E
SCHEMBL21048010 0.86 CCR4 (0.60) EDNRAEDNRBCCR4GAAPKM
SCHEMBL25495338 0.83 EDNRA (0.62) EDNRAEDNRBALDH1A1RXFP1L3MBTL1
SCHEMBL22034347 0.81 CCR4 (0.61) CCR4
SCHEMBL22034243 0.79 CCR4 (0.59) EDNRACCR4
SCHEMBL30791387 0.77 CCR4 (0.37) EDNRACCR4KDM4EGAAKMT2A
SCHEMBL23525752 0.77 CCR4 (0.37) EDNRACCR4KDM4EGAAKMT2A
SCHEMBL20575977 0.73 KDM4E (0.48) EDNRAALDH1A1CCR4KDM4EGAA
SCHEMBL24437605 0.71 SCN9A (0.40) CCR4TDP1PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2025-11-25 — — US disclosed
EP-3707126-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2025-05-14 — — EP disclosed
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2024-12-26 — — US disclosed
US-12071424-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2024-08-27 — — US disclosed
CN-111566089-B IRE1 small molecule inhibitors 康奈尔大学 2023-11-17 — — CN disclosed
US-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2023-08-31 — — US disclosed
US-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2023-08-31 — — US disclosed
US-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2023-08-31 — — US disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 — — US disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 — — US disclosed
WO-2020232401-A1 COMBINATION THERAPIES WITH IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY (US) 2020-11-19 — — WO disclosed
WO-2020232403-A1 TREATMENT OF FIBROSIS WITH IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY (US) 2020-11-19 — — WO disclosed
EP-3707126-A1 IRE1 SMALL MOLECULE INHIBITORS Cornell University (US) 2020-09-16 — — EP disclosed
CN-111566089-A IRE1 small molecule inhibitor 康奈尔大学 2020-08-21 — — CN disclosed
US-10745379-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2020-08-18 — — US disclosed
US-20200157079-A1 IRE1 Small Molecule Inhibitors QUENTIS THERAPEUTICS, INC. (US) 2020-05-21 — — US disclosed
EP-3630748-A1 IRE1 SMALL MOLECULE INHIBITORS Quentis Therapeutics, Inc. (US) 2020-04-08 — — EP disclosed
US-20190169160-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2019-06-06 — — US disclosed
US-20180346446-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2018-12-06 — — US disclosed
WO-2018222918-A1 IRE1 SMALL MOLECULE INHIBITORS QUENTIS THERAPEUTICS, INC. (US) 2018-12-06 — — 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 (9 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-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 EDNRA 2093/4885EDNRB 2191/4885ALDH1A1 3482/4885
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 EDNRA 2093/4885EDNRB 2191/4885ALDH1A1 3482/4885
US-20200157079-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 EDNRA 2093/4885EDNRB 2191/4885ALDH1A1 3482/4885
US-12071424-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 EDNRA 2093/4885EDNRB 2191/4885ALDH1A1 3482/4885
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors XBP1, DDIT3, HSP90B1 EDNRA 437/4885EDNRB 286/4885ALDH1A1 2568/4885
US-11649224-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 EDNRA 2093/4885EDNRB 2191/4885ALDH1A1 3482/4885
US-20180346446-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 EDNRA 2093/4885EDNRB 2191/4885ALDH1A1 3482/4885
US-20190169160-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 EDNRA 2093/4885EDNRB 2191/4885ALDH1A1 3482/4885
US-10745379-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 EDNRA 2093/4885EDNRB 2191/4885ALDH1A1 3482/4885

“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.