SCHEMBL21883789

SCHEMBL21883789

CC(C)N[C@@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.63
ACE P12821 9/20 0.61
TSHR P16473 1/20 0.54
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL4668246 0.88 MME (0.61) MMEACETSHR
SCHEMBL5641909 0.88 MME (0.61) MMEACETSHR
SCHEMBL5311806 0.88 MME (0.61) MMEACETSHR
SCHEMBL3369279 0.88 MME (0.61) MMEACETSHR
SCHEMBL8254252 0.88 MME (0.61) MMEACETSHR
SCHEMBL7319806 0.88 MME (0.61) MMEACETSHR
Hydrochloric Acid SCHEMBL10961819 0.87 MME (0.60) MMEACETSHR
SCHEMBL13707920 0.87 TSHR (0.51) MMEACETSHRMEN1HTT
SCHEMBL13707901 0.87 TSHR (0.51) MMEACETSHRMEN1HTT
SCHEMBL8248581 0.85 MME (0.62) MMEACETSHR

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-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

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 MME 271/4885ACE 487/4885TSHR 4650/4885
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 MME 271/4885ACE 487/4885TSHR 4650/4885

“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.