SCHEMBL21361458

SCHEMBL21361458

C[C@H]1CN(S(=O)(=O)c2ccc(N(C)C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)N2CCc3cc(Cl)ccc3C2)[C@H]1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.37
PDE4B Q07343 1/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX5 P09917 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PGR P06401 2/20 0.33
DRD2 P14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL21361454 1.00 OPRK1 (0.37) OPRK1PDE4BAKR1C3AKR1C1NPSR1
SCHEMBL21361453 0.94 PDE4B (0.35) OPRK1PDE4BAKR1C3AKR1C1NPSR1
SCHEMBL21361457 0.94 PDE4B (0.35) OPRK1PDE4BAKR1C3AKR1C1NPSR1
SCHEMBL21361555 0.90 PSEN1 (0.38) OPRK1PDE4BAKR1C3AKR1C1ALOX5
SCHEMBL21361459 0.90 PSEN1 (0.38) OPRK1PDE4BAKR1C3AKR1C1ALOX5
SCHEMBL21361533 0.89 OPRK1 (0.39) OPRK1PDE4BAKR1C3AKR1C1NPSR1
SCHEMBL21361472 0.89 OPRK1 (0.40) OPRK1PDE4BAKR1C3AKR1C1NPSR1
SCHEMBL21361547 0.88 OPRK1 (0.39) OPRK1PDE4BAKR1C3AKR1C1NPSR1
SCHEMBL21361468 0.87 OPRK1 (0.39) OPRK1PDE4BAKR1C3AKR1C1ALOX5
SCHEMBL21361557 0.87 PSEN1 (0.42) OPRK1PDE4BAKR1C3AKR1C1ALOX5

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 OPRK1 4191/4885PDE4B 3430/4885AKR1C3 4212/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G OPRK1 3999/4885PDE4B 3457/4885AKR1C3 4231/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G OPRK1 3997/4885PDE4B 3469/4885AKR1C3 4112/4885

“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.