SCHEMBL22034239

SCHEMBL22034239

COc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.55
PGR P06401 1/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
CCR4 P51679 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.47
UTS2R Q9UKP6 1/20 0.47
BRD4 O60885 2/20 0.47
CYP17A1 P05093 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
ALPL P05186 1/20 0.47

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
SCHEMBL13852799 0.83 SLC22A12 (0.54) SLC22A12PGRLMNAMAPTMEN1
SCHEMBL20575861 0.82 SLC22A12 (0.56) SLC22A12PGRLMNAMEN1KMT2A
SCHEMBL22034355 0.81 CCR4 (0.55) SLC22A12PGRLMNAMAPTMEN1
SCHEMBL7569855 0.80 SLC22A12 (0.58) SLC22A12LMNAMEN1KMT2AALDH1A1
SCHEMBL20575865 0.79 PTGES2 (0.57) MAPTALDH1A1CCR4SMN1; SMN2GAA
SCHEMBL526675 0.77 CYP17A1 (0.83) MEN1KMT2ACYP17A1
SCHEMBL526782 0.77 CYP17A1 (0.74) CYP17A1
SCHEMBL30602443 0.75 CYP17A1 (0.55) LMNAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL526859 0.75 CYP17A1 (0.55) LMNAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL8819732 0.74 PSEN1 (0.72) LMNAMAPTMEN1KMT2ABRD4

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 SLC22A12 2943/4885PGR 2679/4885LMNA 2127/4885
US-20240287004-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 SLC22A12 2943/4885PGR 2679/4885LMNA 2127/4885
US-20220024878-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 SLC22A12 2943/4885PGR 2679/4885LMNA 2127/4885
US-12404248-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 SLC22A12 2943/4885PGR 2679/4885LMNA 2127/4885

“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.