SCHEMBL6760747

SCHEMBL6760747

CCCCC(NCCC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.49
CA2 P00918 2/20 0.47
MAPK1 P28482 1/20 0.47
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
GGT1 P19440 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
CTSK P43235 1/20 0.41
FOLH1 Q04609 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
HDAC2 Q92769 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 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
SCHEMBL2418282 0.92 NOD1 (0.54) NOD1GPR84FFAR1FOLH1MAPT
SCHEMBL9577616 0.92 NOD1 (0.54) NOD1GPR84FFAR1FOLH1MAPT
SCHEMBL146216 0.92 NOD1 (0.56) NOD1CA2MAPK1ACHEBACE1
SCHEMBL8415545 0.92 NOD1 (0.56) NOD1CA2MAPK1ACHEBACE1
SCHEMBL3416074 0.90 NOD1 (0.58) NOD1CA2MAPK1GPR84FFAR1
SCHEMBL9831562 0.90 NOD1 (0.58) NOD1CA2MAPK1GPR84FFAR1
SCHEMBL28794255 0.88 NOD1 (0.61) NOD1GPR84FFAR1FOLH1MAPT
SCHEMBL30957009 0.88 NOD1 (0.61) NOD1GPR84FFAR1FOLH1MAPT
SCHEMBL8413851 0.87 CHRM1 (0.46) NOD1CA2MAPK1GGT1CTSK
SCHEMBL148236 0.87 CHRM1 (0.46) NOD1CA2MAPK1GGT1CTSK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461332-A2 PRODUCTION OF CHIRALLY PURE ALPHA-AMINO ACIDS AND N-SULFONYL ALPHA-AMINO ACIDS Wyeth (US) 2004-09-29 EP claimed
US-6657070-B2 Such as N-((5-chloro-2-thienyl)sulfonyl)-3-ethylnorvaline and 5-chloro-N-((S)-2-ethyl-1-formylbutyl)thiophene-2-sulfonamide via reacting aldehyde, cyanide salt, and alpha-methylbenzylamine WYETH 2003-12-02 US claimed
WO-2003050062-A2 PRODUCTION OF CHIRALLY PURE α-AMINO ACIDS ADN N-SULFONYL α-AMINO ACIDS WYETH (US) 2003-06-19 WO claimed
US-20030013892-A1 Production of chirally pure alpha-amino acids and N-sulfonyl alpha-amino acids WYETH 2003-01-16 US claimed
EP-1461332-A2 PRODUCTION OF CHIRALLY PURE ALPHA-AMINO ACIDS AND N-SULFONYL ALPHA-AMINO ACIDS Wyeth (US) 2004-09-29 EP disclosed
US-6657070-B2 Such as N-((5-chloro-2-thienyl)sulfonyl)-3-ethylnorvaline and 5-chloro-N-((S)-2-ethyl-1-formylbutyl)thiophene-2-sulfonamide via reacting aldehyde, cyanide salt, and alpha-methylbenzylamine WYETH 2003-12-02 US disclosed
WO-2003050062-A2 PRODUCTION OF CHIRALLY PURE α-AMINO ACIDS ADN N-SULFONYL α-AMINO ACIDS WYETH (US) 2003-06-19 WO disclosed
US-20030013892-A1 Production of chirally pure alpha-amino acids and N-sulfonyl alpha-amino acids WYETH 2003-01-16 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 (1 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-20030013892-A1 Production of chirally pure alpha-amino acids and N-sulfonyl alpha-amino acids DNPEP, EDNRB, PNMT NOD1 954/4885CA2 513/4885MAPK1 3330/4885

“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.