SCHEMBL6791475

SCHEMBL6791475

CC(C)C(NC(=O)C(N)CS)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.51
PTGS1 P23219 1/20 0.48
SLC7A11 Q9UPY5 1/20 0.48
FNTA P49354 7/20 0.45
FNTB P49356 7/20 0.45
ACE P12821 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PGGT1B P53609 1/20 0.40
ENPEP Q07075 2/20 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
SCHEMBL30128682 1.00 MME (0.51) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL6791478 1.00 MME (0.51) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL30496770 0.96 MME (0.49) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL29793176 0.92 MME (0.46) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL8002689 0.92 ACE (0.47) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL11324778 0.87 MME (0.52) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL11324786 0.87 MME (0.52) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL8528255 0.87 MME (0.52) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL8528253 0.87 MME (0.52) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL29615053 0.86 MME (0.46) MMEFNTAFNTBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101668522-A Composition and method for binding acetaldehyde in stomach BIOHIT OYJ 2010-03-10 CN claimed
CN-101489545-A Food composition for binding acetaldehyde BIOHIT OYJ (FI) 2009-07-22 CN claimed
CN-101668522-B Composition and method for binding acetaldehyde in stomach BIOHIT OYJ 2015-06-24 CN disclosed
CN-101668522-A Composition and method for binding acetaldehyde in stomach BIOHIT OYJ 2010-03-10 CN disclosed
CN-101489545-A Food composition for binding acetaldehyde BIOHIT OYJ (FI) 2009-07-22 CN disclosed
US-20040087000-A1 Isopenicillin N synthetase and deacetoxycephalosporin C synthetase enzymes and method ISIS INNOVATION LIMITED 2004-05-06 US disclosed
US-20030088058-A1 ISOPENICILLIN N SYNTHETASE AND DEACETOXYCEPHALOSPORIN C SYNTHETASE ENZYMES AND METHODS ISIS INNOVATION LIMITED (GB) 2003-05-08 US disclosed
EP-0932685-A2 ISOPENICILLIN N SYNTHETASE AND DEACETOXYCEPHALOSPORIN C SYNTHETASE ENZYMES AND METHOD ISIS INNOVATION LIMITED (GB) 1999-08-04 EP disclosed
WO-1998016648-A2 ISOPENICILLIN N SYNTHETASE AND DEACETOXYCEPHALOSPORIN C SYNTHETASE ENZYMES AND METHODS ISIS INNOVATION LIMITED (GB) 1998-04-23 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 (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-20030088058-A1 ISOPENICILLIN N SYNTHETASE AND DEACETOXYCEPHALOSPORIN C SYNTHETASE ENZYMES AND METHODS DAO, DHPS, COASY MME 2346/4885PTGS1 2269/4885SLC7A11 2933/4885

“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.