SCHEMBL21361410

SCHEMBL21361410

COc1cccc([C@@H]2CCCN(S(=O)(=O)N3CCCN(CC4CCCCC4)CCCN(S(=O)(=O)c4ccc(N(C)C)cc4)C[C@H](C)C3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
SCN9A Q15858 1/20 0.43
BCL9 O00512 5/20 0.40
CTNNB1 P35222 5/20 0.40
DRD3 P35462 3/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD5 P21918 2/20 0.40
USP5 P45974 1/20 0.40
OPRK1 P41145 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
GAA P10253 1/20 0.38
KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL21361612 0.91 DRD2 (0.42) DRD2SCN9ABCL9CTNNB1DRD3
SCHEMBL21361413 0.91 SCN9A (0.47) SCN9ANPSR1MEN1KMT2ATSHR
SCHEMBL23102112 0.87 MAPT (0.49) OPRK1MEN1KMT2AALOX15TSHR
SCHEMBL24755310 0.86 NPSR1 (0.46) SCN9AUSP5OPRK1NPSR1MEN1
SCHEMBL23102215 0.86 NPSR1 (0.46) SCN9AUSP5OPRK1NPSR1MEN1
SCHEMBL23102082 0.86 NPSR1 (0.46) SCN9AUSP5OPRK1NPSR1MEN1
SCHEMBL23102066 0.85 NPSR1 (0.46) SCN9AOPRK1NPSR1MEN1KMT2A
SCHEMBL21361570 0.85 SCN9A (0.48) DRD2SCN9ADRD3DRD1DRD4
SCHEMBL21361421 0.85 SCN9A (0.48) DRD2SCN9ADRD3DRD1DRD4
SCHEMBL24755316 0.83 HSD11B1 (0.40) SCN9AOPRK1NPSR1MEN1KMT2A

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 DRD2 2954/4885SCN9A 1902/4885BCL9 626/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G DRD2 3081/4885SCN9A 1931/4885BCL9 787/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G DRD2 2649/4885SCN9A 2033/4885BCL9 707/4885

“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.