SCHEMBL25304785

SCHEMBL25304785

COC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C(F)(F)F)ccc3OC)o2)CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ CTSA P10619 2/20 0.36
▸ CETP P11597 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GCGR P47871 2/20 0.34
▸ LCLAT1 Q6UWP7 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ GIPR P48546 1/20 0.33

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
SCHEMBL25260209 0.92 ACKR3 (0.34) ADORA2AADORA2BADORA1ACKR3KCNH2
SCHEMBL24073661 0.91 JAK2 (0.37) ADORA2AADORA2BADORA1CTSACETP
SCHEMBL30370257 0.91 JAK2 (0.37) ADORA2AADORA2BADORA1CTSACETP
SCHEMBL25308019 0.90 AGPAT2 (0.39) —
SCHEMBL30370285 0.88 LCLAT1 (0.34) ADORA2AADORA2BADORA1CTSACETP
SCHEMBL30370549 0.88 LCLAT1 (0.34) ADORA2AADORA2BADORA1CTSACETP
SCHEMBL24073663 0.88 LCLAT1 (0.34) ADORA2AADORA2BADORA1CTSACETP
SCHEMBL24072856 0.88 LCLAT1 (0.34) ADORA2AADORA2BADORA1CTSACETP
SCHEMBL23069404 0.87 LRRK2 (0.36) ACKR3KCNH2TLR9TLR8TLR7
SCHEMBL29546047 0.87 LRRK2 (0.36) ACKR3KCNH2TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157834-B1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION MISSION THERAPEUTICS LTD (GB) 2024-07-03 — — EP disclosed
US-20230219939-A1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION MISSION THERAPEUTICS LIMITED (GB) 2023-07-13 — — US 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-20230219939-A1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION USP30, UQCRC1, NDUFAF1 ADORA2A 4377/4885ADORA2B 4702/4885ADORA1 3991/4885

“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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