SCHEMBL22034243

SCHEMBL22034243

COc1nc(NS(=O)(=O)c2cccc(F)c2Cl)ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 18/20 0.59
PTGES2 Q9H7Z7 1/20 0.43
EDNRA P25101 1/20 0.42

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 0.88 CCR4 (0.61) CCR4
SCHEMBL21048001 0.84 EDNRA (0.58) CCR4PTGES2EDNRA
SCHEMBL30634105 0.84 EDNRA (0.58) CCR4PTGES2EDNRA
SCHEMBL21048010 0.83 CCR4 (0.60) CCR4EDNRA
SCHEMBL20576673 0.79 KDM4E (0.49) CCR4EDNRA
SCHEMBL20575792 0.79 EDNRA (0.46) CCR4EDNRA
SCHEMBL30634072 0.79 EDNRA (0.46) CCR4EDNRA
SCHEMBL22034313 0.78 CCR4 (0.55) CCR4
SCHEMBL22034316 0.78 CCR4 (0.55) CCR4
SCHEMBL30777785 0.77 AKR1B1 (0.36) CCR4EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404248-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2025-09-02 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-11945784-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2024-04-02 US disclosed
EP-3891130-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2023-10-25 EP disclosed
EP-3891130-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2023-10-25 EP disclosed
EP-4201924-A1 IRE1 SMALL MOLECULE INHIBITORS Cornell University (US) 2023-06-28 EP disclosed
EP-4201924-A1 IRE1 SMALL MOLECULE INHIBITORS Cornell University (US) 2023-06-28 EP disclosed
US-20220024878-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2022-01-27 US disclosed
EP-3891130-A1 IRE1 SMALL MOLECULE INHIBITORS Cornell University (US) 2021-10-13 EP 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

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-11945784-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CCR4 3191/4885PTGES2 2323/4885EDNRA 2093/4885
US-20240287004-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CCR4 3191/4885PTGES2 2323/4885EDNRA 2093/4885
US-20220024878-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CCR4 3191/4885PTGES2 2323/4885EDNRA 2093/4885
US-12404248-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CCR4 3191/4885PTGES2 2323/4885EDNRA 2093/4885

“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.