SCHEMBL25258959

SCHEMBL25258959

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.50
▸ HDAC6 Q9UBN7 4/20 0.50
▸ GRIN1 Q05586 3/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ F2R P25116 1/20 0.39
▸ CCR2 P41597 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ FAAH O00519 2/20 0.37
▸ CES1 P23141 1/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 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
SCHEMBL24073645 0.90 HDAC1 (0.47) HDAC1HDAC6GRIN1GRIN2BCYP2C19
SCHEMBL28971352 0.89 HDAC1 (0.50) HDAC1HDAC6GRIN1GRIN2BCYP2C19
SCHEMBL25258088 0.89 HDAC1 (0.50) HDAC1HDAC6GRIN1GRIN2BCYP2C19
SCHEMBL25305510 0.89 HDAC1 (0.50) HDAC1HDAC6GRIN1GRIN2BCYP2C19
SCHEMBL25838523 0.88 HDAC1 (0.48) HDAC1HDAC6GRIN1GRIN2BCYP2C19
SCHEMBL24073643 0.88 HDAC1 (0.48) HDAC1HDAC6GRIN1GRIN2BCYP2C19
SCHEMBL25304754 0.88 HDAC1 (0.48) HDAC1HDAC6GRIN1GRIN2BCYP2C19
SCHEMBL25248803 0.86 HDAC1 (0.47) HDAC1HDAC6GRIN1GRIN2BCYP2C19
SCHEMBL29268951 0.86 HDAC1 (0.47) HDAC1HDAC6GRIN1GRIN2BCYP2C19
SCHEMBL29268945 0.86 HDAC1 (0.47) HDAC1HDAC6GRIN1GRIN2BCYP2C19

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 3 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
CN-115667252-A N- (1-cyano-pyrrolidin-3-yl) -5- (3- (trifluoromethyl) phenyl) oxazole-2-carboxamide derivatives and corresponding oxadiazole derivatives as USP30 inhibitors for the treatment of mitochondrial dysfunction 特殊治疗有限公司 2023-01-31 — — CN 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 356/4885GRIN1 4037/4885

“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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