SCHEMBL25837893

SCHEMBL25837893

COC[C@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C)ccc3Cl)o2)CN1C#N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 12/20 0.36
▸ AR P10275 1/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ F10 P00742 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
SCHEMBL27418620 0.89 AGPAT2 (0.38) AGPAT2
SCHEMBL24073580 0.89 AGPAT2 (0.38) AGPAT2
SCHEMBL30370537 0.89 AGPAT2 (0.38) AGPAT2
SCHEMBL24072840 0.89 AGPAT2 (0.38) AGPAT2
SCHEMBL31017677 0.89 AGPAT2 (0.38) AGPAT2
SCHEMBL24073578 0.89 AGPAT2 (0.38) AGPAT2
SCHEMBL23069425 0.81 USP30 (0.39) ACKR3KCNH2
SCHEMBL29470211 0.81 USP30 (0.39) ACKR3KCNH2
SCHEMBL24370923 0.80 EGLN1 (0.35) ACKR3KCNH2
SCHEMBL29470214 0.79 USP30 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AGPAT2 3809/4885AR 4096/4885ACKR3 4334/4885

“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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