SCHEMBL22034320

SCHEMBL22034320

CCc1cc(NS(=O)(=O)c2ccccc2Cl)cnc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 1/20 0.47
▸ ALPL P05186 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ EDNRA P25101 2/20 0.45
▸ EDNRB P24530 1/20 0.45
▸ NR1I2 O75469 3/20 0.45
▸ SLC22A12 Q96S37 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL22034355 0.81 CCR4 (0.55) CCR4ALPLMEN1KMT2ASLC22A12
SCHEMBL13853039 0.76 SLC22A12 (0.64) MEN1KMT2ANR1I2SLC22A12ALDH1A1
SCHEMBL13629320 0.74 SLC22A12 (0.54) MEN1KMT2ANR1I2SLC22A12ALDH1A1
SCHEMBL13629338 0.73 SLC22A12 (0.53) MEN1KMT2ANR1I2SLC22A12ALDH1A1
SCHEMBL13853017 0.73 ALDH1A1 (0.68) MEN1KMT2ASLC22A12ALDH1A1PGR
SCHEMBL22034348 0.73 EDNRA (0.54) CCR4ALPLMEN1KMT2AEDNRA
SCHEMBL17578826 0.70 PGR (0.54) ALPLMEN1KMT2ANR1I2SLC22A12
SCHEMBL20576083 0.70 GAA (0.46) CCR4MEN1KMT2AEDNRAEDNRB
SCHEMBL20576018 0.70 GAA (0.49) MEN1KMT2AEDNRAEDNRBSLC22A12
SCHEMBL30634069 0.70 GAA (0.49) MEN1KMT2AEDNRAEDNRBSLC22A12

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 3191/4885ALPL 4177/4885MEN1 3601/4885
US-20240287004-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CCR4 3191/4885ALPL 4177/4885MEN1 3601/4885
US-20220024878-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CCR4 3191/4885ALPL 4177/4885MEN1 3601/4885
US-12404248-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CCR4 3191/4885ALPL 4177/4885MEN1 3601/4885

“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.

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