SCHEMBL4954435

SCHEMBL4954435

CSC(NC(=O)C(O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
LMNA P02545 4/20 0.50
MAPK1 P28482 1/20 0.50
PSMB5 P28074 1/20 0.45
NAAA Q02083 2/20 0.44
HPGD P15428 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CASP1 P29466 2/20 0.39
CASP3 P42574 2/20 0.39
CASP7 P55210 2/20 0.39
CASP8 Q14790 2/20 0.39
LTA4H P09960 1/20 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
SCHEMBL4953331 0.83 KEAP1 (0.48) KEAP1NFE2L2LMNAMAPK1PSMB5
SCHEMBL4954259 0.80 NAAA (0.49) KEAP1NFE2L2LMNAMAPK1PSMB5
SCHEMBL4955545 0.78 NAAA (0.53) KEAP1NFE2L2LMNAMAPK1PSMB5
SCHEMBL4957034 0.78 KEAP1 (0.49) KEAP1NFE2L2LMNAMAPK1PSMB5
SCHEMBL197183 0.77 KEAP1 (0.58) KEAP1NFE2L2LMNAMAPK1PSMB5
SCHEMBL197182 0.77 KEAP1 (0.58) KEAP1NFE2L2LMNAMAPK1PSMB5
SCHEMBL28408400 0.75 MEN1 (0.64) KEAP1NFE2L2LMNAMAPK1HPGD
SCHEMBL8974575 0.75 MEN1 (0.64) KEAP1NFE2L2LMNAMAPK1HPGD
SCHEMBL4956329 0.74 LTA4H (0.56) GAANPSR1LTA4H
SCHEMBL4952857 0.74 SLC1A2 (0.50) LMNAHPGDNPC1RAB9AGAA

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 4 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
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 KEAP1 1692/4885NFE2L2 2307/4885LMNA 1572/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 KEAP1 1999/4885NFE2L2 1982/4885LMNA 4474/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 KEAP1 1501/4885NFE2L2 1408/4885LMNA 2272/4885

“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.