SCHEMBL30790785

SCHEMBL30790785

CC(C)(C)OC(=O)N[C@@H](COc1ccc2ncc(F)cc2c1C(=O)OCc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.43
▸ SYK P43405 1/20 0.41
▸ AAK1 Q2M2I8 2/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CTRB1 P17538 2/20 0.38
▸ CYP3A4 P08684 5/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ APP P05067 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
SCHEMBL30916027 0.94 SYK (0.41) ATMSYKAAK1HDAC3HDAC4
SCHEMBL30916020 0.93 SYK (0.41) ATMSYKAAK1HDAC3HDAC4
SCHEMBL30916073 0.90 SYK (0.37) ATMSYKAAK1HDAC3HDAC4
SCHEMBL30916034 0.88 HDAC3 (0.36) ATMSYKAAK1HDAC3HDAC4
SCHEMBL30916090 0.87 HDAC3 (0.37) ATMSYKAAK1HDAC3HDAC4
SCHEMBL30878142 0.87 ATM (0.47) ATMSYKMAPTCTRB1CYP3A4
SCHEMBL29097024 0.83 ATM (0.43) ATMSYKAAK1HDAC3HDAC4
SCHEMBL29097022 0.83 ATM (0.43) ATMSYKAAK1HDAC3HDAC4
SCHEMBL29828533 0.83 ATM (0.43) ATMSYKAAK1HDAC3HDAC4
Hydrochloric Acid SCHEMBL29828403 0.80 SCN4A (0.39) AAK1MAPTJAK2MAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098045-A1 CRYSTALLINE FORM OF (3S,7S,10R,13R)-13-BENZYL-20-FLUORO-7-ISOBUTYL-N-(2-(3-METHOXY-1,2,4-OXADIAZOL-5-YL)ETHYL)-6,9-DIMETHYL-1,5,8,11-TETRAOXO-10-(2,2,2-TRIFLUOROETHYL)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-TETRADECAHYDRO-[1]OXA[4,7,10,14]TETRAAZACYCLOHEPTADECINO[16,17-F]QUINOLINE-3-CARBOXAMIDE IDORSIA PHARMACEUTICALS LTD (CH) 2026-04-09 — — US disclosed
US-20260098060-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2026-04-09 — — US disclosed
US-20250268979-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-08-28 — — US disclosed
EP-4587444-A1 CRYSTALLINE FORM OF (3S,7S,10R,13R)-13-BENZYL-20-FLUORO-7-ISOBUTYL-N-(2-(3-METHOXY-1,2,4-OXADIAZOL-5-YL)ETHYL)-6,9-DIMETHYL-1,5,8,11-TETRAOXO-10-(2,2,2-TRIFLUOROETHYL)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-TETRADECAHYDRO-[1]OXA[4,7,10,14]TETRAAZACYCLOHEPTADECINO[16,17-F]QUINOLINE-3-CARBOXAMIDE Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
EP-4587012-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
EP-4587443-A1 MACROCYCLIC CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
CN-119998297-A Crystalline forms of (3 s,7s,10r,13 r) -13-benzyl-20-fluoro-7-isobutyl-N- (2- (3-methoxy-1, 2, 4-oxadiazol-5-yl) ethyl) -6, 9-dimethyl-1,5,8,11-tetraoxo-10- (2, 2-trifluoroethyl) -1,2,3,4,5,6,7,8,9,10,11,12,13,14-decatetrahydro- [1] oxa [4,7,10,14] tetraazaheptadecao [16,17-f ] quinoline-3-carboxamide 爱杜西亚药品有限公司 2025-05-13 — — CN disclosed
CN-119907667-A Combination of macrocyclic CFTR modulators with CFTR corrector and/or CFTR potentiator 爱杜西亚药品有限公司 2025-04-29 — — CN disclosed
WO-2024056798-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
WO-2024056779-A1 CRYSTALLINE FORM OF (3S,7S,10R,13R)-13-BENZYL-20-FLUORO-7-ISOBUTYL-N-(2-(3-METHOXY-1,2,4-OXADIAZOL-5-YL)ETHYL)-6,9-DIMETHYL-1,5,8,11-TETRAOXO-10-(2,2,2-TRIFLUOROETHYL)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-TETRADECAHYDRO-[1]OXA[4,7,10,14]TETRAAZACYCLOHEPTADECINO[16,17-F]QUINOLINE-3-CARBOXAMIDE IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
WO-2024056791-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — 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-20260098060-A1 MACROCYCLIC CFTR MODULATORS CFTR, CLIC1, ARRB1 ATM 2233/4885SYK 3578/4885AAK1 2966/4885
US-20250268979-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS CFTR, RRS1, PKD1 ATM 701/4885SYK 4446/4885AAK1 2796/4885
US-20260098045-A1 CRYSTALLINE FORM OF (3S,7S,10R,13R)-13-BENZYL-20-FLUORO-7-ISOBUTYL-N-(2-(3-METHOXY-1,2,4-OXADIAZOL-5-YL)ETHYL)-6,9-DIMETHYL-1,5,8,11-TETRAOXO-10-(2,2,2-TRIFLUOROETHYL)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-TETRADECAHYDRO-[1]OXA[4,7,10,14]TETRAAZACYCLOHEPTADECINO[16,17-F]QUINOLINE-3-CARBOXAMIDE CYP7A1, CYP3A7, SLC10A1 ATM 4788/4885SYK 3333/4885AAK1 4284/4885

“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.

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