SCHEMBL10058690

SCHEMBL10058690

CCC(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.42
ACE P12821 2/20 0.41
ADORA1 P30542 1/20 0.39
BCHE P06276 1/20 0.38
REN P00797 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
FAP Q12884 1/20 0.37
KLK7 P49862 1/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
BACE1 P56817 1/20 0.37
TACR1 P25103 1/20 0.37
CMA1 P23946 4/20 0.37
MMP13 P45452 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL5021225 1.00 KLK5 (0.42) KLK5ACEADORA1BCHEREN
SCHEMBL22457757 0.84 ACE (0.55) ACECMA1
SCHEMBL6438312 0.84 ACE (0.55) ACECMA1
SCHEMBL1401501 0.83 ACE (0.42) KLK5ACEADORA1KMT2ADPP4
SCHEMBL7377534 0.82 LTA4H (0.52) ACECMA1
SCHEMBL22457522 0.81 ACE (0.51) ACECMA1
SCHEMBL22457752 0.80 KLK5 (0.47) KLK5ACEKLK7CTSDCTSE
SCHEMBL22457523 0.77 KLK5 (0.44) KLK5ACEKLK7CTSDCTSE
SCHEMBL25339275 0.76 KLK7 (0.50) KLK5ACEKMT2ADPP4DPP8
SCHEMBL25339274 0.76 KLK7 (0.50) KLK5ACEKMT2ADPP4DPP8

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-20120122797-A1 PEPTIDIC COMPOUND AND USE OF SAME KEIO UNIVERSITY (JP) 2012-05-17 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-20120122797-A1 PEPTIDIC COMPOUND AND USE OF SAME ASNS, ANPEP, NGLY1 KLK5 3347/4885ACE 1012/4885ADORA1 3560/4885

“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.