SCHEMBL10274720

SCHEMBL10274720

CCCCOC(=O)C(NC(=O)CCC(=O)O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PLA2G10 O15496 2/20 0.40
PLA2G2C Q5R387 2/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40
HTT P42858 1/20 0.40
BIRC2 Q13490 1/20 0.39
NOD1 Q9Y239 2/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 1/20 0.36

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
SCHEMBL10274648 1.00 MAPT (0.45) MAPTHSD17B10PLA2G10PLA2G2CMEN1
SCHEMBL13078540 0.93 PLA2G10 (0.45) MAPTHSD17B10PLA2G10PLA2G2CMEN1
SCHEMBL8365711 0.89 MAPT (0.48) MAPTHSD17B10MEN1FAAHMAPK1
SCHEMBL16116959 0.86 FAAH (0.57) MAPTHSD17B10PLA2G10PLA2G2CMEN1
SCHEMBL16116961 0.86 FAAH (0.57) MAPTHSD17B10PLA2G10PLA2G2CMEN1
SCHEMBL21118578 0.84 PLA2G10 (0.44) MAPTHSD17B10PLA2G10PLA2G2CMEN1
SCHEMBL16116967 0.83 FAAH (0.57) PLA2G10PLA2G2CMEN1FAAHMAPK1
SCHEMBL16116972 0.83 FAAH (0.57) PLA2G10PLA2G2CMEN1FAAHMAPK1
SCHEMBL16116971 0.83 FAAH (0.57) PLA2G10PLA2G2CMEN1FAAHMAPK1
SCHEMBL18686238 0.83 MAPT (0.37) MAPTHSD17B10PLA2G10PLA2G2APLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012046062-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS SHIRE, LLC (US) 2012-04-12 WO disclosed
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 MAPT 1430/4885HSD17B10 2305/4885PLA2G10 4642/4885

“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.