SCHEMBL21361642

SCHEMBL21361642

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
PDE4B Q07343 1/20 0.36
CCR2 P41597 1/20 0.36
OPRK1 P41145 3/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
THRB P10828 1/20 0.34
PGR P06401 2/20 0.33
DRD2 P14416 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL23102125 0.93 POLB (0.39) POLBNPSR1AKR1C3AKR1C1HRH3
SCHEMBL23102098 0.90 DRD2 (0.44) POLBNPSR1AKR1C3AKR1C1HRH3
SCHEMBL23102096 0.90 DRD2 (0.42) POLBNPSR1AKR1C3AKR1C1HRH3
SCHEMBL21361416 0.90 OPRK1 (0.38) POLBNPSR1AKR1C3AKR1C1HRH3
SCHEMBL21361553 0.90 AKR1C3 (0.43) POLBNPSR1AKR1C3AKR1C1PDE4B
SCHEMBL23102278 0.89 DRD2 (0.41) POLBNPSR1AKR1C3AKR1C1HRH3
SCHEMBL21361636 0.89 DRD2 (0.41) POLBNPSR1AKR1C3AKR1C1HRH3
SCHEMBL21361513 0.89 HRH3 (0.40) POLBNPSR1AKR1C3AKR1C1HRH3
SCHEMBL21361551 0.88 OPRK1 (0.38) POLBNPSR1AKR1C3AKR1C1HRH3
SCHEMBL21361426 0.88 AKR1C3 (0.43) POLBNPSR1AKR1C3AKR1C1PDE4B

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 6 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
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 POLB 3315/4885NPSR1 2606/4885AKR1C3 4212/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G POLB 3166/4885NPSR1 2535/4885AKR1C3 4231/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G POLB 3175/4885NPSR1 2424/4885AKR1C3 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.