SCHEMBL21361566

SCHEMBL21361566

COc1cc(F)cc(N2[C@H](C)CN(S(=O)(=O)N3CCCN(CC4CCCCC4)CCCN(S(=O)(=O)c4ccc(N(C)C)cc4)C[C@H](C)C3)C[C@@H]2C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
SCN9A Q15858 1/20 0.36
CYP19A1 P11511 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
THRB P10828 2/20 0.34
CCR3 P51677 2/20 0.33
CCR5 P51681 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
SCHEMBL24755399 1.00 GAA (0.37) GAAALDH1A1POLBSCN9ACYP19A1
SCHEMBL21361486 1.00 GAA (0.37) GAAALDH1A1POLBSCN9ACYP19A1
SCHEMBL21361571 0.92 ALDH1A1 (0.38) GAAALDH1A1POLBSCN9ACYP19A1
SCHEMBL21361573 0.92 ALDH1A1 (0.38) GAAALDH1A1POLBSCN9ACYP19A1
SCHEMBL21361572 0.83 ALDH1A1 (0.36) GAAALDH1A1POLBSCN9ACYP19A1
SCHEMBL23102126 0.82 THRB (0.50) GAAALDH1A1SCN9APKMSMN1; SMN2
SCHEMBL21361537 0.82 SMN1; SMN2 (0.42) GAAALDH1A1POLBSCN9ACYP19A1
SCHEMBL24755914 0.82 NPSR1 (0.45) GAAALDH1A1POLBNPSR1CYP3A4
SCHEMBL23102112 0.81 MAPT (0.49) ALDH1A1PKMSMN1; SMN2TSHRTHRB
SCHEMBL21361539 0.81 SMN1; SMN2 (0.40) ALDH1A1POLBSCN9ACYP19A1NPSR1

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 GAA 1920/4885ALDH1A1 4848/4885POLB 3315/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G GAA 2080/4885ALDH1A1 4834/4885POLB 3166/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G GAA 2018/4885ALDH1A1 4817/4885POLB 3175/4885

“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.