SCHEMBL4954099

SCHEMBL4954099

CCCCSCC(NC(=O)CCC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 11/20 0.53
HDAC2 Q92769 1/20 0.43
SLC6A5 Q9Y345 1/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ICMT O60725 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL4952040 0.90 NOD1 (0.47) NOD1HDAC2SLC6A5MAPTITGB3
SCHEMBL4951783 0.89 NOD1 (0.46) NOD1HDAC2SLC6A5GMNNTP53
SCHEMBL11092334 0.88 NOD1 (0.66) NOD1SLC6A5GMNNTP53POLB
SCHEMBL11094036 0.88 NOD1 (0.66) NOD1SLC6A5GMNNTP53POLB
SCHEMBL11092330 0.88 NOD1 (0.66) NOD1SLC6A5GMNNTP53POLB
SCHEMBL11088269 0.88 NOD1 (0.66) NOD1SLC6A5GMNNTP53POLB
SCHEMBL4952711 0.87 NOD1 (0.45) NOD1HDAC2SLC6A5GMNNTP53
SCHEMBL4955334 0.86 NOD1 (0.55) NOD1HDAC2SLC6A5
SCHEMBL4951690 0.85 NOD1 (0.49) NOD1HDAC2SLC6A5MAPTITGB3
SCHEMBL4953347 0.83 ICMT (0.49) NOD1GMNNTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 US disclosed
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 US disclosed
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 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 (3 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-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 NOD1 3692/4885HDAC2 708/4885SLC6A5 3362/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 NOD1 3233/4885HDAC2 1949/4885SLC6A5 987/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 NOD1 10/4885HDAC2 2217/4885SLC6A5 4695/4885

“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.