SCHEMBL23901238

SCHEMBL23901238

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
LTA4H P09960 2/20 0.30

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
SCHEMBL12448296 0.82 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL14011111 0.82 MMP9 (0.33) MMEACECPA1ACE2
SCHEMBL23643228 0.79 ALDH1A1 (0.39) ALDH1A1TDP1MMEACECPA1
SCHEMBL17953988 0.79 ALDH1A1 (0.39) ALDH1A1TDP1MME
SCHEMBL29307827 0.78 ALDH1A1 (0.41) ALDH1A1ACE
SCHEMBL24899933 0.78 ALDH1A1 (0.38) ALDH1A1TDP1MME
SCHEMBL7995489 0.76 MME (0.46) ALDH1A1TDP1MME
SCHEMBL23643116 0.75 ALDH1A1 (0.39) ALDH1A1TDP1ACE
SCHEMBL13058954 0.75 ALDH1A1 (0.48) ALDH1A1TDP1MMEACE
SCHEMBL15274733 0.74 MME (0.33) MMEACECPA1ACE2

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-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-07 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-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS CD2BP2, DCLRE1A, EPCAM ALDH1A1 618/4885TDP1 3390/4885MME 2501/4885

“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.