SCHEMBL25100586

SCHEMBL25100586

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.42
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOD1 Q9Y239 1/20 0.39
NPY5R Q15761 4/20 0.38
NPY1R P25929 3/20 0.38
NPY4R P50391 3/20 0.38
NPY2R P49146 1/20 0.38
ALB P02768 1/20 0.38
SIRT5 Q9NXA8 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SHMT1 P34896 1/20 0.35
TLR2 O60603 1/20 0.35
MEN1 O00255 1/20 0.35
KLK7 P49862 1/20 0.35

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
SCHEMBL24141108 1.00 C3AR1 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL18556667 0.88 C3AR1 (0.41) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL24831973 0.88 ITGB3 (0.43) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL27313920 0.88 C3AR1 (0.41) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL23760644 0.87 C3AR1 (0.40) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL17117124 0.87 NMT2 (0.40) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL17683438 0.85 C3AR1 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL19698084 0.85 C3AR1 (0.39) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL21481051 0.84 ITGB3 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL12961585 0.80 SIRT5 (0.51) C3AR1SMN1; SMN2ALBSIRT5

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-11596693-B2 Antibody-drug conjugates and uses thereof MABPLEX INTERNATIONAL CO., LTD (CN) 2023-03-07 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-11596693-B2 Antibody-drug conjugates and uses thereof DARS1, CD2, FCGR2A C3AR1 1418/4885ITGB3 469/4885ITGA2B 351/4885

“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.