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Sugi Predict / Compounds / SCHEMBL21361571

SCHEMBL21361571

SCHEMBL21361571

COc1cc(F)cc(N2CCN(S(=O)(=O)N3CCCN(CC4CCCCC4)CCCN(S(=O)(=O)c4ccc(N(C)C)cc4)C[C@H](C)C3)C[C@@H]2C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ THRB P10828 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 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
SCHEMBL21361573 1.00 ALDH1A1 (0.38) ALDH1A1POLBPKMGAACYP19A1
SCHEMBL21361566 0.92 GAA (0.37) ALDH1A1POLBPKMGAACYP19A1
SCHEMBL21361486 0.92 GAA (0.37) ALDH1A1POLBPKMGAACYP19A1
SCHEMBL24755399 0.92 GAA (0.37) ALDH1A1POLBPKMGAACYP19A1
SCHEMBL21361572 0.91 ALDH1A1 (0.36) ALDH1A1POLBPKMGAACYP19A1
SCHEMBL21361539 0.86 SMN1; SMN2 (0.40) ALDH1A1POLBCYP19A1CYP3A4CYP2C19
SCHEMBL23102126 0.83 THRB (0.50) ALDH1A1PKMGAASCN9ATHRB
SCHEMBL23102217 0.83 CYP19A1 (0.43) POLBPKMCYP19A1THRBNPSR1
SCHEMBL23102112 0.82 MAPT (0.49) ALDH1A1PKMTHRBOPRK1SMN1; SMN2
SCHEMBL21361500 0.81 HTR1A (0.45) ALDH1A1POLBGAACYP3A4CYP2C19

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 4848/4885POLB 3315/4885PKM 4329/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ALDH1A1 4834/4885POLB 3166/4885PKM 4227/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ALDH1A1 4817/4885POLB 3175/4885PKM 4298/4885

“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.