SCHEMBL13337034

SCHEMBL13337034

CCC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.38
MME P08473 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
GLS O94925 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL24713146 0.96 ACE (0.40) ACEMMECPA1ACE2CA1
SCHEMBL12975772 0.96 ACE (0.40) ACEMMECPA1ACE2CA1
SCHEMBL24254004 0.82 CA1 (0.43) CA1CA2DPP4DPP8DPP9
SCHEMBL13337036 0.80 CYP2C9 (0.41) ACEMMECPA1ACE2CA1
SCHEMBL22644050 0.79 MAPT (0.32) ACEMMECPA1ACE2CA1
SCHEMBL24122292 0.79 MAPT (0.32) ACEMMECPA1ACE2CA1
SCHEMBL13337037 0.78 DPP4 (0.35) ACEDPP4DPP8DPP9
SCHEMBL19502439 0.78 DPP4 (0.46) ACEMMECPA1ACE2CA1
SCHEMBL31181297 0.77 DPP4 (0.48) DPP4DPP8DPP9
SCHEMBL22598435 0.77 DPP4 (0.48) DPP4DPP8DPP9

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-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF QUEENSLAND 2010-05-27 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-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN OPRL1, CRH, OPRK1 ACE 1948/4885MME 183/4885CPA1 565/4885

“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.