SCHEMBL24738932

SCHEMBL24738932

CC(C)(C)OC(=O)Nc1ccc(C(C)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ DEGS1 O15121 3/20 0.43
▸ NPY5R Q15761 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ BCL2 P10415 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL30828305 0.91 RAB9A (0.55) GAAPOLBPTGS1RAB9ANPC1
SCHEMBL282866 0.88 DEGS1 (0.51) GAAPOLBPTGS1RAB9ANPC1
SCHEMBL31000170 0.87 GAA (0.42) GAAPOLBPTGS1RAB9ANPC1
SCHEMBL31706891 0.86 GAA (0.44) GAAPOLBPTGS1RAB9ANPC1
SCHEMBL23582651 0.85 GSK3B (0.43) GAAPOLBPTGS1RAB9ANPC1
SCHEMBL23582524 0.83 HDAC1 (0.41) GAAPOLBPTGS1RAB9ANPC1
SCHEMBL31357577 0.83 HDAC1 (0.41) GAAPOLBPTGS1RAB9ANPC1
SCHEMBL24738966 0.82 GSK3B (0.43) RAB9AGSK3BDYRK1AHDAC1DEGS1
SCHEMBL31705856 0.82 GAA (0.55) GAAPOLBPTGS1RAB9ANPC1
SCHEMBL31292326 0.82 HDAC1 (0.41) GAAPOLBPTGS1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 — — EP disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — 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 (1 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 GAA 1487/4885POLB 4692/4885PTGS1 1221/4885

“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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