SCHEMBL30474057

SCHEMBL30474057

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.47
▸ HDAC6 Q9UBN7 6/20 0.47
▸ RIPK1 Q13546 1/20 0.39
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GRIN1 Q05586 7/20 0.37
▸ GRIN2B Q13224 7/20 0.37
▸ F2R P25116 1/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL24072831 1.00 HDAC1 (0.47) HDAC1HDAC6RIPK1CYP2C19CYP1A2
SCHEMBL24073669 1.00 HDAC1 (0.47) HDAC1HDAC6RIPK1CYP2C19CYP1A2
SCHEMBL25258088 0.91 HDAC1 (0.50) HDAC1HDAC6RIPK1CYP2C19CYP1A2
SCHEMBL28971352 0.91 HDAC1 (0.50) HDAC1HDAC6RIPK1CYP2C19CYP1A2
SCHEMBL25305510 0.91 HDAC1 (0.50) HDAC1HDAC6RIPK1CYP2C19CYP1A2
SCHEMBL24073645 0.90 HDAC1 (0.47) HDAC1HDAC6CYP2C19CYP1A2GRIN1
SCHEMBL30062624 0.90 HDAC1 (0.41) HDAC1HDAC6RIPK1PIM1USP30
SCHEMBL30061997 0.90 HDAC1 (0.41) HDAC1HDAC6RIPK1PIM1USP30
SCHEMBL24073261 0.88 HDAC1 (0.49) HDAC1HDAC6CYP2C19CYP1A2GRIN1
SCHEMBL30370264 0.88 HDAC1 (0.49) HDAC1HDAC6CYP2C19CYP1A2GRIN1

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 HDAC1 358/4885HDAC6 356/4885RIPK1 2377/4885

“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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