SCHEMBL21361434

SCHEMBL21361434

COc1cc(F)cc(N2C(C)CN(C(C)C)CC2C)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
CYP1A2 P05177 1/20 0.35
PRKG1 Q13976 1/20 0.35
CPS1 P31327 8/20 0.35
FFAR4 Q5NUL3 1/20 0.34
ADAMTS4 O75173 2/20 0.33
ADAMTS5 Q9UNA0 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
VCP P55072 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL24755560 0.84 CPS1 (0.37) CPS1FFAR4ALDH1A1LMNATSHR
SCHEMBL23102230 0.82 ROCK2 (0.39) ROCK2CYP1A2PRKG1CPS1FFAR4
SCHEMBL21359251 0.78 CPS1 (0.44) CPS1FFAR4ADAMTS4ADAMTS5ALDH1A1
SCHEMBL23089808 0.78 CPS1 (0.44) CPS1FFAR4ADAMTS4ADAMTS5ALDH1A1
SCHEMBL21359066 0.78 ADRB1 (0.39) CPS1FFAR4ALDH1A1LMNATSHR
SCHEMBL21359227 0.78 ADRB1 (0.39) CPS1FFAR4ALDH1A1LMNATSHR
SCHEMBL19003589 0.77 HRH3 (0.38) ALDH1A1VCP
SCHEMBL15858967 0.77 HRH3 (0.38) ALDH1A1VCP
SCHEMBL24755657 0.76 RXRA (0.36) ROCK2PRKG1ALDH1A1LMNAHTT
SCHEMBL21361480 0.75 ROCK2 (0.38) ROCK2CYP1A2PRKG1CPS1FFAR4

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 ROCK2 3588/4885CYP1A2 2684/4885PRKG1 2002/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ROCK2 3524/4885CYP1A2 2446/4885PRKG1 1786/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ROCK2 3936/4885CYP1A2 2461/4885PRKG1 1952/4885

“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.