SCHEMBL21361616

SCHEMBL21361616

COc1cc(F)ccc1N1CCN(S(=O)(=O)N2CCCN(CC3CCCCC3)CCCN(S(=O)(=O)c3ccc(N(C)C)cc3)C[C@H](C)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GFER P55789 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.38
GAA P10253 3/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
KCNT1 Q5JUK3 1/20 0.37
HTR7 P34969 3/20 0.37
HTR1A P08908 1/20 0.37
POLB P06746 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36

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
SCHEMBL21361542 0.94 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2GFERMEN1KMT2A
SCHEMBL21361539 0.91 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2CYP19A1KCNT1POLB
SCHEMBL23102067 0.91 ALDH1A1 (0.46) ALDH1A1GFERKMT2AGAADRD2
SCHEMBL21361409 0.90 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AGAAHTR1ACYP3A4
SCHEMBL21361487 0.90 LMNA (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL21361617 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GFERMEN1KMT2A
SCHEMBL21361519 0.89 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2GFERMEN1KMT2A
SCHEMBL21361537 0.88 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CYP19A1GAAPOLB
SCHEMBL23102217 0.88 CYP19A1 (0.43) SMN1; SMN2CYP19A1HTR1APOLBLMNA
SCHEMBL23102173 0.87 CYP19A1 (0.35) ALDH1A1SMN1; SMN2CYP19A1GAAPOLB

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 ALDH1A1 4848/4885SMN1; SMN2 4582/4885GFER 3876/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ALDH1A1 4834/4885SMN1; SMN2 4499/4885GFER 3928/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ALDH1A1 4817/4885SMN1; SMN2 4421/4885GFER 3590/4885

“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.