SCHEMBL13043586

SCHEMBL13043586

CC(=O)NC(CCC(=O)OC(C)C)C(=O)NC(C(C)=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
FURIN P09958 2/20 0.31
CPA1 P15085 1/20 0.31
CPA2 P48052 1/20 0.31
CPA4 Q9UI42 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
PCSK6 P29122 1/20 0.31
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 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
SCHEMBL12774903 0.90 ALDH1A1 (0.38) LMNAALDH1A1MEN1HPGDKMT2A
SCHEMBL13043585 0.85 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ATRPV1SMN1; SMN2
SCHEMBL20614482 0.82 CPA1 (0.43) ALDH1A1SMN1; SMN2CPA1CPA2CPA4
SCHEMBL468880 0.79 L3MBTL1 (0.42) LMNAALDH1A1MEN1HPGDKMT2A
SCHEMBL468879 0.79 L3MBTL1 (0.42) LMNAALDH1A1MEN1HPGDKMT2A
SCHEMBL10442581 0.78 ALDH1A1 (0.40) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL12773687 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTCTSDBACE1
SCHEMBL13043728 0.75 MAPT (0.44) LMNASMN1; SMN2MAPT
SCHEMBL13043654 0.73 PLA2G2A (0.42) LMNASMN1; SMN2MAPT
SCHEMBL13043588 0.73 SMN1; SMN2 (0.34) LMNASMN1; SMN2

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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 LMNA 4259/4885ALDH1A1 1313/4885MEN1 4727/4885

“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.