SCHEMBL21952847

SCHEMBL21952847

CC(C)COC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CTSK P43235 5/20 0.43
▸ CTSS P25774 4/20 0.43
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 1/20 0.43
▸ GLS O94925 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ GLA P06280 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CAPN1 P07384 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
SCHEMBL21952754 1.00 KMT2A (0.45) KMT2ACA1CA2CA7CTSK
SCHEMBL19209704 0.94 CA1 (0.49) KMT2ACA1CA2CA7CTSK
SCHEMBL21187798 0.94 CA1 (0.49) KMT2ACA1CA2CA7CTSK
SCHEMBL16181845 0.90 KMT2A (0.42) KMT2ACA1CA2CA7CTSK
SCHEMBL15663571 0.86 CYP1A2 (0.49) KMT2ACA1CA2CA7CTSK
SCHEMBL21065379 0.86 CYP1A2 (0.49) KMT2ACA1CA2CA7CTSK
SCHEMBL21065384 0.86 CYP1A2 (0.49) KMT2ACA1CA2CA7CTSK
SCHEMBL21065378 0.86 CYP1A2 (0.49) KMT2ACA1CA2CA7CTSK
SCHEMBL29918031 0.85 KMT2A (0.47) KMT2ACA1CA2CA7CTSK
SCHEMBL29918107 0.85 KMT2A (0.47) KMT2ACA1CA2CA7CTSK

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-11370747-B2 Method for producing amide compound CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2022-06-28 — — US disclosed
US-20200131117-A1 METHOD FOR PRODUCING AMIDE COMPOUND CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2020-04-30 — — 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 (2 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-11370747-B2 Method for producing amide compound NAAA, ASNS, GLUL KMT2A 854/4885CA1 174/4885CA2 755/4885
US-20200131117-A1 METHOD FOR PRODUCING AMIDE COMPOUND NAAA, ASNS, GLUL KMT2A 854/4885CA1 174/4885CA2 755/4885

“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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