SCHEMBL20431079

SCHEMBL20431079

COC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ MME P08473 3/20 0.47
▸ ACE P12821 4/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA13 Q8N1Q1 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL20431098 0.87 ALDH1A1 (0.48) ALDH1A1MMEACECA12CA1
SCHEMBL21883787 0.86 ALDH1A1 (0.50) ALDH1A1MMEACECA12CA1
SCHEMBL23013621 0.84 ACE (0.59) MMEACETSHRMMP3MMP2
SCHEMBL23013623 0.84 ACE (0.59) MMEACETSHRMMP3MMP2
SCHEMBL21883789 0.83 MME (0.63) MMEACETSHRSMN1; SMN2
SCHEMBL23030906 0.83 MAPT (0.52) ALDH1A1ACETSHRMMP3MMP2
SCHEMBL28716412 0.83 MAPT (0.52) ALDH1A1ACETSHRMMP3MMP2
SCHEMBL22472895 0.82 LNPEP (0.53) ALDH1A1MMEACECA12CA1
SCHEMBL21883816 0.79 ACE (0.39) ALDH1A1MMEACECA12CA1
SCHEMBL18942459 0.78 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2CA3

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
US-10787482-B2 Epoxyketone compounds for enzyme inhibition Centrax International Inc. (US) 2020-09-29 — — US disclosed
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2020-03-19 — — US disclosed
EP-3166933-B1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INT INC (US) 2018-08-01 — — EP 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-10787482-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 ALDH1A1 1707/4885MME 271/4885ACE 487/4885
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 ALDH1A1 1707/4885MME 271/4885ACE 487/4885

“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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