SCHEMBL13337036

SCHEMBL13337036

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
ACE P12821 2/20 0.34
MME P08473 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
BIRC2 Q13490 1/20 0.33
ECE1 P42892 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PSMB5 P28074 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL14344684 0.92 CYP2C9 (0.46) CYP2C9CA12CA1CA9ECE1
SCHEMBL1905479 0.92 CYP2C9 (0.46) CYP2C9CA12CA1CA9ECE1
SCHEMBL18403619 0.92 CYP2C9 (0.46) CYP2C9CA12CA1CA9ECE1
SCHEMBL11519798 0.83 CYP2C9 (0.43) CYP2C9ACEMMECPA1ACE2
SCHEMBL23289273 0.82 CYP2C9 (0.42) CYP2C9ACEMMECPA1ACE2
SCHEMBL11429905 0.82 MME (0.52) CYP2C9ACEMMECPA1ACE2
SCHEMBL13337088 0.82 CYP2C9 (0.42) CYP2C9ACEMMECPA1ACE2
SCHEMBL16199258 0.82 MME (0.52) CYP2C9ACEMMECPA1ACE2
SCHEMBL24725361 0.80 CTSD (0.39) CA12CA1CA9BIRC2ECE1
SCHEMBL11517513 0.80 CYP2C9 (0.41) CYP2C9ACEMMECPA1ACE2

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 CYP2C9 2252/4885ACE 1948/4885MME 183/4885

“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.