SCHEMBL24072829

SCHEMBL24072829

COC[C@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(C(F)(F)F)c3)o2)CN1C#N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.49
▸ HDAC6 Q9UBN7 6/20 0.49
▸ USP30 Q70CQ3 1/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GRIN1 Q05586 7/20 0.38
▸ GRIN2B Q13224 7/20 0.38
▸ F2R P25116 1/20 0.38
▸ CYP2C9 P11712 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ UCHL1 P09936 1/20 0.36

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
SCHEMBL27418698 1.00 HDAC1 (0.49) HDAC1HDAC6USP30CYP2C19CYP1A2
SCHEMBL27418111 1.00 HDAC1 (0.49) HDAC1HDAC6USP30CYP2C19CYP1A2
SCHEMBL30370215 1.00 HDAC1 (0.49) HDAC1HDAC6USP30CYP2C19CYP1A2
SCHEMBL24073559 1.00 HDAC1 (0.49) HDAC1HDAC6USP30CYP2C19CYP1A2
SCHEMBL30060139 0.89 HDAC1 (0.42) HDAC1HDAC6USP30PIM1
SCHEMBL30060110 0.89 HDAC1 (0.42) HDAC1HDAC6USP30PIM1
SCHEMBL22557556 0.89 FAAH (0.46) HDAC1HDAC6USP30
SCHEMBL24073643 0.88 HDAC1 (0.48) HDAC1HDAC6USP30CYP2C19CYP1A2
SCHEMBL25304754 0.88 HDAC1 (0.48) HDAC1HDAC6USP30CYP2C19CYP1A2
SCHEMBL25838523 0.88 HDAC1 (0.48) HDAC1HDAC6USP30CYP2C19CYP1A2

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-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
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
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
WO-2021239863-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) 2021-12-02 — — 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-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 HDAC1 358/4885HDAC6 356/4885USP30 1/4885

“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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