SCHEMBL22059699

SCHEMBL22059699

CC(C)C[C@H](NC(=O)CNC(C)(C)C)C(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MME P08473 2/20 0.34
PSMB5 P28074 3/20 0.33
MAPT P10636 1/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
FOLH1 Q04609 2/20 0.32
TP53 P04637 1/20 0.32
CAPN1 P07384 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL22060198 0.87 ALDH1A1 (0.35) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL24764840 0.85 ALDH1A1 (0.55) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL24764848 0.85 ALDH1A1 (0.55) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL22060202 0.84 ALDH1A1 (0.35) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL22060164 0.83 ALDH1A1 (0.37) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL26629604 0.80
SCHEMBL26630522 0.78 L3MBTL1 (0.30)
SCHEMBL684233 0.77 ALDH1A1 (0.42) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL684796 0.77 ALDH1A1 (0.42) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL12401342 0.77 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 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 (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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R ALDH1A1 4326/4885MEN1 268/4885LMNA 3526/4885

“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.