SCHEMBL4954259

SCHEMBL4954259

CCCSC(NC(=O)C(O)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.49
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
PSMB5 P28074 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
GLS O94925 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39

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
SCHEMBL4955545 0.92 NAAA (0.53) NAAAKEAP1NFE2L2LMNAMAPK1
SCHEMBL4953331 0.88 KEAP1 (0.48) NAAAKEAP1NFE2L2LMNAMAPK1
SCHEMBL4954435 0.80 KEAP1 (0.51) NAAAKEAP1NFE2L2LMNAMAPK1
SCHEMBL4952686 0.78 METAP2 (0.52) NAAAKEAP1NFE2L2METAP2METAP1
SCHEMBL4949447 0.78 ALDH1A1 (0.51) NAAALMNAALDH1A1
SCHEMBL4949621 0.77 MME (0.49) NAAAKEAP1NFE2L2METAP2METAP1
SCHEMBL4954174 0.77 TP53 (0.34) METAP2METAP1MEN1KMT2A
SCHEMBL3901340 0.75 MME (0.63) NAAAKEAP1NFE2L2LMNAMAPK1
SCHEMBL3898655 0.75 MME (0.63) NAAAKEAP1NFE2L2LMNAMAPK1
SCHEMBL3898657 0.75 MME (0.63) NAAAKEAP1NFE2L2LMNAMAPK1

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 5 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
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 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 (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 NAAA 303/4885KEAP1 1692/4885NFE2L2 2307/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 NAAA 334/4885KEAP1 1999/4885NFE2L2 1982/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 NAAA 1712/4885KEAP1 1501/4885NFE2L2 1408/4885

“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.