SCHEMBL22460384

SCHEMBL22460384

COC(C)(C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.43
▸ CTSK P43235 2/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CTSS P25774 1/20 0.38

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
SCHEMBL19983086 0.96 MEN1 (0.47) MEN1KMT2AGAATDP1CTSK
SCHEMBL22460550 0.87 MEN1 (0.54) MEN1KMT2AGAATDP1CTSK
SCHEMBL22460551 0.87 MEN1 (0.54) MEN1KMT2AGAATDP1CTSK
SCHEMBL24573412 0.86 KMT2A (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL19983115 0.85 MEN1 (0.46) MEN1KMT2AGAATDP1CTSK
SCHEMBL21152479 0.84 TDP1 (0.49) MEN1KMT2AGAATDP1MAOA
SCHEMBL22460636 0.83 MEN1 (0.44) MEN1KMT2AGAATDP1CTSK
SCHEMBL22460447 0.83 MEN1 (0.44) MEN1KMT2AGAATDP1CTSK
SCHEMBL25658967 0.83 TDP1 (0.47) MEN1KMT2AGAATDP1MAOA
SCHEMBL22460461 0.81 CTSK (0.48) MEN1KMT2AGAATDP1CTSK

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
US-20220204457-A1 ARGININE GINGIPAIN INHIBITORS CORTEXYME INC (US) 2022-06-30 — — US disclosed
WO-2020191348-A1 ARGININE GINGIPAIN INHIBITORS Cortexyme, Inc. (US) 2020-09-24 — — 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-20220204457-A1 ARGININE GINGIPAIN INHIBITORS ARGLU1, PADI1, ARG1 MEN1 1583/4885KMT2A 2392/4885GAA 273/4885

“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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