SCHEMBL17344012

SCHEMBL17344012

N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
LTA4H P09960 4/20 0.46
MME P08473 2/20 0.45
ANPEP P15144 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSL P07711 1/20 0.44
SLC15A1 P46059 1/20 0.43
CASP1 P29466 1/20 0.42
ACE P12821 1/20 0.42
CCKBR P32239 3/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
ECE1 P42892 1/20 0.41

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
SCHEMBL22301197 1.00 ALDH1A1 (0.51) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL17347888 0.97 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL22300838 0.95 MEN1 (0.47) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL23463536 0.93 MEN1 (0.48) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL24084035 0.92 MEN1 (0.50) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL22300839 0.90 MEN1 (0.46) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL22193431 0.90 KMT2A (0.51) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL24235783 0.90 KMT2A (0.51) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL24235730 0.90 ALDH1A1 (0.43) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL8724141 0.89 MEN1 (0.49) ALDH1A1MEN1HPGDKMT2ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9700633-B2 Conjugates of water soluble polymer-amino acid oligopeptide-drug, preparation method and use thereof JENKEM TECHNOLOGY CO., LTD., TIANJIN BRANCH (CN) 2017-07-11 US disclosed
US-9700633-B2 Conjugates of water soluble polymer-amino acid oligopeptide-drug, preparation method and use thereof JENKEM TECHNOLOGY CO., LTD., TIANJIN BRANCH (CN) 2017-07-11 US disclosed
US-20150359900-A1 CONJUGATES OF WATER SOLUBLE POLYMER-AMINO ACID OLIGOPEPTIDE-DRUG, PREPARATION METHOD AND USE THEREOF JENKEM TECHNOLOGY CO. LTD., TIANJIN BRANCH (CN) 2015-12-17 US disclosed
US-20150359900-A1 CONJUGATES OF WATER SOLUBLE POLYMER-AMINO ACID OLIGOPEPTIDE-DRUG, PREPARATION METHOD AND USE THEREOF JENKEM TECHNOLOGY CO. LTD., TIANJIN BRANCH (CN) 2015-12-17 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-20150359900-A1 CONJUGATES OF WATER SOLUBLE POLYMER-AMINO ACID OLIGOPEPTIDE-DRUG, PREPARATION METHOD AND USE THEREOF SLC7A1, NPPA, PEPD ALDH1A1 2543/4885MEN1 2336/4885HPGD 2713/4885

“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.