SCHEMBL21361465

SCHEMBL21361465

C[C@H]1CN(S(=O)(=O)c2ccc(N(C)C)cc2)CCCN(CC2CCC(F)(F)CC2)CCCN(S(=O)(=O)N2CCc3cc(Cl)ccc3C2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.38
NPSR1 Q6W5P4 2/20 0.36
PDE4B Q07343 1/20 0.36
AKR1C3 P42330 2/20 0.34
AKR1C1 Q04828 1/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
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
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 1/20 0.32
DRD2 P14416 1/20 0.32

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 0.93 OPRK1 (0.40) OPRK1NPSR1PDE4BAKR1C3AKR1C1
SCHEMBL23102105 0.93 OPRK1 (0.39) OPRK1NPSR1PDE4BAKR1C3AKR1C1
SCHEMBL21361533 0.93 OPRK1 (0.39) OPRK1NPSR1PDE4BAKR1C3AKR1C1
SCHEMBL21361547 0.93 OPRK1 (0.39) OPRK1NPSR1PDE4BAKR1C3AKR1C1
SCHEMBL23102257 0.91 OPRK1 (0.37) OPRK1NPSR1PDE4BAKR1C3AKR1C1
SCHEMBL21361553 0.87 AKR1C3 (0.43) OPRK1NPSR1PDE4BAKR1C3AKR1C1
SCHEMBL21361417 0.86 OPRK1 (0.36) OPRK1NPSR1PDE4BAKR1C3AKR1C1
SCHEMBL23102098 0.86 DRD2 (0.44) OPRK1NPSR1PDE4BAKR1C3AKR1C1
SCHEMBL23102096 0.86 DRD2 (0.42) OPRK1NPSR1PDE4BAKR1C3AKR1C1
SCHEMBL21361468 0.86 OPRK1 (0.39) OPRK1PDE4BAKR1C3AKR1C1POLB

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 4191/4885NPSR1 2606/4885PDE4B 3430/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G OPRK1 3999/4885NPSR1 2535/4885PDE4B 3457/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G OPRK1 3997/4885NPSR1 2424/4885PDE4B 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.