SCHEMBL1036149

SCHEMBL1036149

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
FAP Q12884 1/20 0.42
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ARG1 P05089 2/20 0.32
MALT1 Q9UDY8 1/20 0.32
ARG2 P78540 1/20 0.32
PAX8 Q06710 1/20 0.32
SLC15A1 P46059 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL24140490 1.00 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP
SCHEMBL9854687 0.83
SCHEMBL1033955 0.83
SCHEMBL23071822 0.83
SCHEMBL19387517 0.78 ALDH1A1 (0.34) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL12019255 0.78
SCHEMBL14160930 0.77 DPP7 (0.39) DPP4DPP8DPP9DPP7FAP
Acetic Acid SCHEMBL31276783 0.77 SLC7A5 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL18291022 0.76 LMNA (0.31) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL14420225 0.76 SLC7A5 (0.47) SLC7A5

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
EP-2277884-B1 ANTHRACYCLINE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2017-08-23 EP disclosed
US-9115165-B2 Tetracyclic anthraquinone antibiotic derivatives with high activity, process for preparing the same and use thereof TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2015-08-25 US disclosed
US-20110224161-A1 TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2011-09-15 US disclosed
EP-2277884-A1 ANTHRACYCLINE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-01-26 EP 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-20110224161-A1 TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF DHPS, TBCA, ANTXR2 DPP4 3343/4885DPP8 3954/4885DPP9 3592/4885

“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.