SCHEMBL21359415

SCHEMBL21359415

CC(c1ccccc1)N(CCCO)CCCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.46
HTR2A P28223 2/20 0.44
HRH1 P35367 2/20 0.44
ALOX5 P09917 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.39
AOC3 Q16853 2/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL21359414 1.00 TRPA1 (0.46) TRPA1HTR2AHRH1ALOX5SIGMAR1
SCHEMBL3931089 0.88 TRPA1 (0.48) TRPA1HTR2AHRH1ALOX5SIGMAR1
SCHEMBL18743958 0.86 SIGMAR1 (0.49) TRPA1HTR2AHRH1ALOX5SIGMAR1
Hydrochloric Acid SCHEMBL20266542 0.81 SIGMAR1 (0.46) HTR2AHRH1ALOX5SIGMAR1ALDH1A1
SCHEMBL27622285 0.79 KCNH2 (0.49) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL332579 0.79 KCNH2 (0.49) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL28118950 0.79 KCNH2 (0.49) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL29054986 0.79 KCNH2 (0.49) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL28278212 0.79 KCNH2 (0.49) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL28119245 0.79 KCNH2 (0.49) HTR2AHRH1SIGMAR1ALDH1A1

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-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2021-03-18 US disclosed
EP-3765447-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS Kezar Life Sciences (US) 2021-01-20 EP 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 (2 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 TRPA1 3459/4885HTR2A 4254/4885HRH1 4048/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G TRPA1 3260/4885HTR2A 4157/4885HRH1 3957/4885

“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.