SCHEMBL24073261

SCHEMBL24073261

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.49
▸ HDAC6 Q9UBN7 6/20 0.49
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ USP30 Q70CQ3 3/20 0.38
▸ F2R P25116 1/20 0.38
▸ GRIN1 Q05586 3/20 0.36
▸ GRIN2B Q13224 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 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
SCHEMBL30370264 1.00 HDAC1 (0.49) HDAC1HDAC6CYP2C19CYP1A2USP30
SCHEMBL30060184 0.89 HDAC1 (0.40) HDAC1HDAC6USP30PIM1PIM2
SCHEMBL30474057 0.88 HDAC1 (0.47) HDAC1HDAC6CYP2C19CYP1A2USP30
SCHEMBL24072831 0.88 HDAC1 (0.47) HDAC1HDAC6CYP2C19CYP1A2USP30
SCHEMBL24073669 0.88 HDAC1 (0.47) HDAC1HDAC6CYP2C19CYP1A2USP30
SCHEMBL24073645 0.88 HDAC1 (0.47) HDAC1HDAC6CYP2C19CYP1A2USP30
SCHEMBL22585734 0.86 FAAH (0.43) HDAC1HDAC6USP30F2RHCRTR2
SCHEMBL24073568 0.86 CTSL (0.40) CYP2C19CYP1A2USP30HCRTR1HCRTR2
SCHEMBL30473989 0.84 HDAC1 (0.44) HDAC1HDAC6CYP2C19CYP1A2USP30
SCHEMBL27418109 0.84 USP30 (0.56) HDAC1HDAC6USP30

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 4 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
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 356/4885CYP2C19 3996/4885

“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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