SCHEMBL21048010

SCHEMBL21048010

COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1Br

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 14/20 0.60
PKM P14618 1/20 0.56
EDNRB P24530 1/20 0.46
EDNRA P25101 1/20 0.46
HSD11B1 P28845 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL22034347 0.90 CCR4 (0.61) CCR4
SCHEMBL20575792 0.86 EDNRA (0.46) CCR4PKMEDNRBEDNRAGAA
SCHEMBL30634072 0.86 EDNRA (0.46) CCR4PKMEDNRBEDNRAGAA
SCHEMBL20576673 0.86 KDM4E (0.49) CCR4PKMEDNRAGAA
SCHEMBL22034243 0.83 CCR4 (0.59) CCR4EDNRA
SCHEMBL21047981 0.83 PKM (0.60) CCR4PKMEDNRBEDNRAHSD11B1
SCHEMBL30634104 0.83 PKM (0.60) CCR4PKMEDNRBEDNRAHSD11B1
SCHEMBL22034364 0.82 PKM (0.63) CCR4PKMEDNRBEDNRAHSD11B1
SCHEMBL21047976 0.81 PKM (0.58) CCR4PKMEDNRBEDNRAHSD11B1
SCHEMBL30634091 0.81 PKM (0.58) CCR4PKMEDNRBEDNRAHSD11B1

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 34 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
US-12404248-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2025-09-02 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
EP-4201924-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2024-10-23 EP disclosed
US-20240287004-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2024-08-29 US disclosed
US-12071424-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2024-08-27 US disclosed
US-11945784-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2024-04-02 US disclosed
CN-111566089-B IRE1 small molecule inhibitors 康奈尔大学 2023-11-17 CN disclosed
EP-3891130-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2023-10-25 EP disclosed
US-10961218-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2021-03-30 US disclosed
US-20200392106-A1 IRE1 Small Molecule Inhibitors CORNELL UNIVERSITY 2020-12-17 US disclosed
WO-2020232403-A1 TREATMENT OF FIBROSIS WITH IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY (US) 2020-11-19 WO disclosed
WO-2020232401-A1 COMBINATION THERAPIES 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
WO-2020117634-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY (US) 2020-06-11 WO disclosed
WO-2020117634-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY (US) 2020-06-11 WO disclosed
US-20190169160-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2019-06-06 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 (10 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-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CCR4 3191/4885PKM 2987/4885EDNRB 2191/4885
US-20200392106-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 CCR4 3191/4885PKM 2987/4885EDNRB 2191/4885
US-11945784-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CCR4 3191/4885PKM 2987/4885EDNRB 2191/4885
US-10961218-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CCR4 3191/4885PKM 2987/4885EDNRB 2191/4885
US-12071424-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CCR4 3191/4885PKM 2987/4885EDNRB 2191/4885
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors XBP1, DDIT3, HSP90B1 CCR4 1290/4885PKM 3719/4885EDNRB 286/4885
US-20240287004-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CCR4 3191/4885PKM 2987/4885EDNRB 2191/4885
US-20190169160-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CCR4 3191/4885PKM 2987/4885EDNRB 2191/4885
US-12404248-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CCR4 3191/4885PKM 2987/4885EDNRB 2191/4885
US-10745379-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CCR4 3191/4885PKM 2987/4885EDNRB 2191/4885

“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.