SCHEMBL21361537

SCHEMBL21361537

COc1cc(F)ccc1C1CN(S(=O)(=O)N2CCCN(CC3CCCCC3)CCCN(S(=O)(=O)c3ccc(N(C)C)cc3)C[C@H](C)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 2/20 0.40
CYP19A1 P11511 3/20 0.39
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
CCR5 P51681 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
CCR3 P51677 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL21361616 0.88 ALDH1A1 (0.41) SMN1; SMN2CYP19A1ALDH1A1POLBCYP3A4
SCHEMBL21361570 0.87 SCN9A (0.48) SMN1; SMN2SCN9ACYP19A1ALDH1A1POLB
SCHEMBL21361421 0.87 SCN9A (0.48) SMN1; SMN2SCN9ACYP19A1ALDH1A1POLB
SCHEMBL21361539 0.86 SMN1; SMN2 (0.40) SMN1; SMN2SCN9ACYP19A1ALDH1A1POLB
SCHEMBL21361542 0.86 SMN1; SMN2 (0.43) SMN1; SMN2CYP19A1ALDH1A1POLBCCR5
SCHEMBL23102217 0.82 CYP19A1 (0.43) SMN1; SMN2CYP19A1POLBNPSR1
SCHEMBL24755914 0.82 NPSR1 (0.45) SMN1; SMN2ALDH1A1POLBCYP3A4CYP2C19
SCHEMBL24755399 0.82 GAA (0.37) SMN1; SMN2SCN9ACYP19A1ALDH1A1POLB
SCHEMBL21361566 0.82 GAA (0.37) SMN1; SMN2SCN9ACYP19A1ALDH1A1POLB
SCHEMBL21361486 0.82 GAA (0.37) SMN1; SMN2SCN9ACYP19A1ALDH1A1POLB

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 SMN1; SMN2 4582/4885SCN9A 1902/4885CYP19A1 1524/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G SMN1; SMN2 4499/4885SCN9A 1931/4885CYP19A1 1509/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G SMN1; SMN2 4421/4885SCN9A 2033/4885CYP19A1 1448/4885

“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.