SCHEMBL4955545

SCHEMBL4955545

CCCCSC(NC(=O)C(O)c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.53
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
PSMB5 P28074 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ASAH1 Q13510 2/20 0.41
ACER2 Q5QJU3 1/20 0.41
PAX8 Q06710 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MME P08473 1/20 0.40
SOAT2 O75908 1/20 0.40
ACAT1 P24752 1/20 0.40
SOAT1 P35610 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4954259 0.92 NAAA (0.49) NAAAKEAP1NFE2L2POLBNPSR1
SCHEMBL4953331 0.86 KEAP1 (0.48) NAAAKEAP1NFE2L2POLBPSMB5
SCHEMBL4949292 0.79 NAAA (0.51) NAAAKEAP1NFE2L2POLBMME
SCHEMBL4954062 0.79 ALDH1A1 (0.49) NAAANPSR1ALDH1A1
SCHEMBL4954435 0.78 KEAP1 (0.51) NAAAKEAP1NFE2L2NPSR1PSMB5
SCHEMBL4953007 0.78 EPHX1 (0.38) POLBMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL4951844 0.78 MME (0.51) NAAAKEAP1NFE2L2POLBMME
SCHEMBL6236621 0.77 NAAA (0.52) NAAAKEAP1NFE2L2POLBNPSR1
SCHEMBL9785015 0.76 EPHX1 (0.39) POLBNPSR1ALDH1A1MAPK1MEN1
SCHEMBL4956135 0.75 EPHX1 (0.38) POLBMAPK1MEN1KMT2ASMN1; SMN2

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.