SCHEMBL731156

SCHEMBL731156

C=CCCCOC(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.46
MAPT P10636 1/20 0.46
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
ACHE P22303 5/20 0.37
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL7927216 0.96 ABCC4 (0.46) ABCC4MAPTHRH4HRH3EPHX2
SCHEMBL16493952 0.95 ABCC4 (0.48) ABCC4MAPTHRH4HRH3EPHX2
SCHEMBL8220165 0.81 GAA (0.47) HRH4HRH3EPHX2ALDH1A1LMNA
SCHEMBL4680857 0.81 CASP1 (0.45) ABCC4MAPTEGLN1
SCHEMBL13331638 0.79 ACHE (0.58) HRH4HRH3EPHX2ALDH1A1ACHE
SCHEMBL28289954 0.79 ACHE (0.49) HRH4HRH3EPHX2ALDH1A1LMNA
SCHEMBL11339356 0.77 ACHE (0.51) EPHX2ALDH1A1LMNAACHE
SCHEMBL13231406 0.77 HRH4 (0.48) HRH4HRH3ACHE
SCHEMBL22588787 0.76 ACHE (0.59) HRH4HRH3EPHX2ACHE
SCHEMBL461365 0.76 ACHE (0.58) EPHX2ALDH1A1ACHE

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-1913016-B1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-01-16 EP disclosed
US-8138164-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-03-20 US disclosed
US-20100317623-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO 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-20100317623-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC ABCC4 900/4885MAPT 4330/4885HRH4 4577/4885

“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.