SCHEMBL21361539

SCHEMBL21361539

COc1cc(F)ccc1N1CCN(S(=O)(=O)N2CCCN(CC3CCCCC3)CCCN(S(=O)(=O)c3ccc(N(C)C)cc3)C[C@H](C)C2)C[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 3/20 0.39
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34
KCNT1 Q5JUK3 1/20 0.34
CCR5 P51681 2/20 0.34
CCR3 P51677 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN9A Q15858 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 0.91 ALDH1A1 (0.41) SMN1; SMN2CYP19A1ALDH1A1POLBCYP3A4
SCHEMBL21361542 0.87 SMN1; SMN2 (0.43) SMN1; SMN2CYP19A1ALDH1A1POLBCYP3A4
SCHEMBL25435310 0.87 SMN1; SMN2 (0.40) SMN1; SMN2CYP19A1ALDH1A1POLBTSHR
SCHEMBL21361419 0.87 SMN1; SMN2 (0.40) SMN1; SMN2CYP19A1ALDH1A1POLBTSHR
SCHEMBL21361573 0.86 ALDH1A1 (0.38) SMN1; SMN2CYP19A1ALDH1A1POLBCYP3A4
SCHEMBL21361571 0.86 ALDH1A1 (0.38) SMN1; SMN2CYP19A1ALDH1A1POLBCYP3A4
SCHEMBL21361537 0.86 SMN1; SMN2 (0.42) SMN1; SMN2CYP19A1ALDH1A1POLBCYP3A4
SCHEMBL23102217 0.83 CYP19A1 (0.43) SMN1; SMN2CYP19A1POLBNPSR1
SCHEMBL21361487 0.83 LMNA (0.43) SMN1; SMN2CYP19A1ALDH1A1POLBCYP3A4
SCHEMBL21361409 0.83 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4CYP2C19NPSR1

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 4582/4885CYP19A1 1524/4885ALDH1A1 4848/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G SMN1; SMN2 4499/4885CYP19A1 1509/4885ALDH1A1 4834/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G SMN1; SMN2 4421/4885CYP19A1 1448/4885ALDH1A1 4817/4885

“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.