SCHEMBL22034348

SCHEMBL22034348

O=S(=O)(Nc1ncc(Br)cn1)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.54
CCR4 P51679 1/20 0.52
EDNRB P24530 1/20 0.50
GAA P10253 3/20 0.48
LMNA P02545 1/20 0.48
SLC40A1 Q9NP59 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.46
PGR P06401 1/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 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
SCHEMBL22088467 0.82 EDNRA (0.56) EDNRACCR4EDNRBGAALMNA
SCHEMBL8390507 0.79 EDNRA (0.66) EDNRAEDNRBALDH1A1PGRTSHR
SCHEMBL22034311 0.79 NFE2L2 (0.46) EDNRACCR4GAALMNASLC40A1
SCHEMBL22034314 0.79 NFE2L2 (0.46) EDNRACCR4GAALMNASLC40A1
SCHEMBL30634099 0.77 CCR4 (0.55) EDNRACCR4EDNRBLMNASLC40A1
SCHEMBL21048021 0.77 CCR4 (0.55) EDNRACCR4EDNRBLMNASLC40A1
SCHEMBL21047961 0.77 CCR4 (0.64) EDNRACCR4GAALMNA
SCHEMBL30634098 0.77 CCR4 (0.64) EDNRACCR4GAALMNA
SCHEMBL22088448 0.76 EDNRA (0.56) EDNRACCR4EDNRBGAALMNA
SCHEMBL15758763 0.76 POLB (0.51) CCR4GAALMNAALDH1A1TSHR

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 EDNRA 2093/4885CCR4 3191/4885EDNRB 2191/4885
US-20240287004-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 EDNRA 2093/4885CCR4 3191/4885EDNRB 2191/4885
US-20220024878-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 EDNRA 2093/4885CCR4 3191/4885EDNRB 2191/4885
US-12404248-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 EDNRA 2093/4885CCR4 3191/4885EDNRB 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.