SCHEMBL4955334

SCHEMBL4955334

CCCCSCCC(NC(=O)CCC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 13/20 0.55
HDAC2 Q92769 1/20 0.51
SLC6A5 Q9Y345 2/20 0.45
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
GNPAT O15228 1/20 0.42
PGGT1B P53609 1/20 0.41

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
SCHEMBL4951961 0.90 NOD1 (0.50) NOD1HDAC2SLC6A5FNTAFNTB
SCHEMBL4953409 0.89 HDAC2 (0.49) NOD1HDAC2SLC6A5FNTAFNTB
SCHEMBL11092611 0.88 NOD1 (0.68) NOD1HDAC2SLC6A5FNTAFNTB
SCHEMBL4953360 0.88 HDAC2 (0.48) NOD1HDAC2SLC6A5FNTAFNTB
SCHEMBL4953340 0.87 NOD1 (0.50) NOD1HDAC2SLC6A5FNTAFNTB
SCHEMBL9828632 0.87 NOD1 (0.50) NOD1HDAC2SLC6A5FNTAFNTB
SCHEMBL4954099 0.86 NOD1 (0.53) NOD1HDAC2SLC6A5
SCHEMBL4953163 0.84 KDM4E (0.46) NOD1HDAC2GNPAT
SCHEMBL31039943 0.83 NOD1 (0.70) NOD1HDAC2SLC6A5GNPAT
SCHEMBL302152 0.82 FNTA (0.58) NOD1HDAC2FNTAFNTBPGGT1B

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.