SCHEMBL20210216

SCHEMBL20210216

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
ALDH1A1 P00352 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
MMP1 P03956 3/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL15314127 1.00 MME (0.39) MMEACECPA1ACE2ALDH1A1
SCHEMBL20210218 1.00 MME (0.39) MMEACECPA1ACE2ALDH1A1
SCHEMBL15314150 1.00 MME (0.39) MMEACECPA1ACE2ALDH1A1
SCHEMBL14375534 0.81 HDAC7 (0.41) TSHRCA1CA2CA7CA14
SCHEMBL17017537 0.78 MME (0.42) MMEACECPA1ACE2ALDH1A1
SCHEMBL4527753 0.78 TDP1 (0.36) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6686776 0.76 DPP4 (0.44)
SCHEMBL8122591 0.76 DPP4 (0.44)
SCHEMBL21896518 0.76 ALDH1A1 (0.42) MMEACECPA1ACE2ALDH1A1
SCHEMBL8122592 0.76 DPP4 (0.44)

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-20180147294-A1 ANTIBODY-DRUG CONJUGATES, COMPOSITIONS AND METHODS OF USE IGENICA BIOTHERAPEUTICS, INC. 2018-05-31 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-20180147294-A1 ANTIBODY-DRUG CONJUGATES, COMPOSITIONS AND METHODS OF USE SDCBP, CD81, DSTN MME 174/4885ACE 2556/4885CPA1 1474/4885

“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.