SCHEMBL21361632

SCHEMBL21361632

C[C@H]1CN(S(=O)(=O)c2ccc(N(C)C)cc2)CCCN(CC2CCCCO2)CCCN(S(=O)(=O)N2CCc3cc(Cl)ccc3C2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
OPRK1 P41145 3/20 0.37
AKR1C3 P42330 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
AKR1C1 Q04828 1/20 0.37
PDE4B Q07343 1/20 0.36
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRB2 P07550 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL21361472 0.90 OPRK1 (0.40) KMT2AMEN1OPRK1AKR1C3NPSR1
SCHEMBL21361547 0.89 OPRK1 (0.39) KMT2AMEN1OPRK1AKR1C3NPSR1
SCHEMBL21361533 0.89 OPRK1 (0.39) KMT2AMEN1OPRK1AKR1C3NPSR1
SCHEMBL21361553 0.88 AKR1C3 (0.43) KMT2AMEN1OPRK1AKR1C3NPSR1
SCHEMBL21361417 0.87 OPRK1 (0.36) KMT2AMEN1OPRK1AKR1C3NPSR1
SCHEMBL23102257 0.86 OPRK1 (0.37) KMT2AMEN1OPRK1AKR1C3NPSR1
SCHEMBL21361426 0.86 AKR1C3 (0.43) KMT2AMEN1OPRK1AKR1C3NPSR1
SCHEMBL23102098 0.85 DRD2 (0.44) OPRK1AKR1C3NPSR1AKR1C1PDE4B
SCHEMBL23102096 0.85 DRD2 (0.42) OPRK1AKR1C3NPSR1AKR1C1PDE4B
SCHEMBL23102149 0.85 OPRK1 (0.38) KMT2AMEN1OPRK1AKR1C3NPSR1

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 KMT2A 4856/4885MEN1 2214/4885OPRK1 4191/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G KMT2A 4863/4885MEN1 2318/4885OPRK1 3999/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G KMT2A 4868/4885MEN1 2274/4885OPRK1 3997/4885

“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.