SCHEMBL21361553

SCHEMBL21361553

C[C@H]1CN(S(=O)(=O)c2ccc(N(C)C)cc2)CCCN(S(=O)(=O)N2CCc3cc(Cl)ccc3C2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.43
AKR1C1 Q04828 1/20 0.43
PDE4B Q07343 1/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
ESR2 Q92731 1/20 0.40
PGR P06401 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRK1 P41145 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CD4 P01730 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL21361426 0.98 AKR1C3 (0.43) AKR1C3AKR1C1PDE4BPOLBMEN1
SCHEMBL21361521 0.95 AKR1C3 (0.40) AKR1C3AKR1C1PDE4BPOLBMEN1
SCHEMBL21361473 0.94 AKR1C3 (0.40) AKR1C3AKR1C1PDE4BPOLBMEN1
SCHEMBL21359162 0.93 AKR1C3 (0.44) AKR1C3AKR1C1PDE4BPOLBMEN1
SCHEMBL23102125 0.92 POLB (0.39) AKR1C3AKR1C1PDE4BPOLBMEN1
SCHEMBL21361416 0.92 OPRK1 (0.38) AKR1C3AKR1C1PDE4BPOLBMEN1
SCHEMBL21361551 0.92 OPRK1 (0.38) AKR1C3AKR1C1PDE4BPOLBMEN1
SCHEMBL23102149 0.92 OPRK1 (0.38) AKR1C3AKR1C1PDE4BPOLBMEN1
SCHEMBL21361472 0.92 OPRK1 (0.40) AKR1C3AKR1C1PDE4BPOLBMEN1
SCHEMBL21361533 0.91 OPRK1 (0.39) AKR1C3AKR1C1PDE4BPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765447-B1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2023-07-12 EP disclosed
US-11578055-B2 Triazacyclododecansulfonamide (“TCD”)-based protein secretion inhibitors KEZAR LIFE SCIENCES (US) 2023-02-14 US disclosed
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-12-22 US disclosed
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2021-03-18 US disclosed
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 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 (3 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-11578055-B2 Triazacyclododecansulfonamide (“TCD”)-based protein secretion inhibitors SEC61B, SEC61A1, SEC61G AKR1C3 4212/4885AKR1C1 4152/4885PDE4B 3430/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G AKR1C3 4231/4885AKR1C1 4151/4885PDE4B 3457/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G AKR1C3 4112/4885AKR1C1 4147/4885PDE4B 3469/4885

“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.