SCHEMBL4956322

SCHEMBL4956322

CCCC(=O)NC(CSC)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.51
FOLH1 Q04609 4/20 0.42
RIMKLA Q8IXN7 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
HDAC2 Q92769 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSD P07339 1/20 0.39
SLC6A5 Q9Y345 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
SCHEMBL8573473 0.89 NOD1 (0.51) NOD1FOLH1RIMKLANAALAD2FNTA
SCHEMBL8573479 0.89 NOD1 (0.51) NOD1FOLH1RIMKLANAALAD2FNTA
SCHEMBL8573470 0.89 NOD1 (0.51) NOD1FOLH1RIMKLANAALAD2FNTA
SCHEMBL16190322 0.86 NOD1 (0.71) NOD1SLC6A5
SCHEMBL4951690 0.85 NOD1 (0.49) NOD1HDAC2ITGB3ITGA2BHDAC3
SCHEMBL4955697 0.84 NOD1 (0.42) NOD1FOLH1RIMKLANAALAD2
SCHEMBL4952040 0.84 NOD1 (0.47) NOD1FNTAFNTBHDAC2ITGB3
SCHEMBL11553104 0.84 NOD1 (0.47) NOD1FNTAFNTBITGB3ITGA2B
SCHEMBL302152 0.84 FNTA (0.58) NOD1FNTAFNTBHDAC2
SCHEMBL302151 0.84 FNTA (0.58) NOD1FNTAFNTBHDAC2

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 3692/4885FOLH1 1682/4885RIMKLA 1057/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 NOD1 3233/4885FOLH1 2075/4885RIMKLA 1142/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 NOD1 10/4885FOLH1 4314/4885RIMKLA 1449/4885

“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.