SCHEMBL128038

SCHEMBL128038

CSCC[C@@H](NCC(=O)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
RNPEP Q9H4A4 1/20 0.44
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
FOLH1 Q04609 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
SCHEMBL3923641 1.00 LMNA (0.44) LMNARNPEPCA2CA1RAB9A
SCHEMBL856817 0.85 RNPEP (0.47) LMNARNPEPCA2CA1ALDH1A1
SCHEMBL27681165 0.85 RNPEP (0.47) LMNARNPEPCA2CA1ALDH1A1
SCHEMBL27387943 0.85 RNPEP (0.47) LMNARNPEPCA2CA1RAB9A
SCHEMBL27361292 0.84 RNPEP (0.46) LMNARNPEPCA2CA1RAB9A
SCHEMBL27361290 0.84 RNPEP (0.46) LMNARNPEPCA2CA1RAB9A
SCHEMBL5179354 0.83 RNPEP (0.48) LMNARNPEPCA2CA1RAB9A
SCHEMBL5179360 0.83 RNPEP (0.48) LMNARNPEPCA2CA1RAB9A
Hydrochloric Acid SCHEMBL11456037 0.82 LMNA (0.44) LMNARNPEPCA2CA1RAB9A
Iodide SCHEMBL11474184 0.82 LMNA (0.44) LMNARNPEPCA2CA1RAB9A

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089529-B1 PRODUCTION OF STEREOISOMERS OF MONATIN VIA D-TRYPTOPHAN CARGILL INC (US) 2019-03-20 EP disclosed
US-9719079-B2 Aldolases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-08-01 US disclosed
EP-3168299-A2 POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS FOR THE PRODUCTION OF STEREOISOMERS OF MONATIN AND THEIR PRECURSORS Cargill, Incorporated (US) 2017-05-17 EP disclosed
EP-3153580-A2 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF Enzymes LLC (US) 2017-04-12 EP disclosed
US-9518280-B2 Aldolases, nucleic acids encoding them and methods for making and using them CARGILL, INCORPORATED (US) 2016-12-13 US disclosed
EP-2385108-B1 Aldolases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-11-23 EP disclosed
US-20160251643-A1 Aldolases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION 2016-09-01 US disclosed
EP-2354240-B1 Polypeptides and biosynthetic pathways CARGILL INC (US) 2016-07-06 EP disclosed
EP-2361976-B1 Polypeptides and biosynthetic pathways for the production of stereoisomers of monatin and their precursors CARGILL INC (US) 2016-05-25 EP disclosed
US-9290755-B2 Aldolases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-03-22 US disclosed
US-20050282260-A1 Polypeptides and biosynthetic pathways for the production of monatin and its precursors CARGILL, INCORPORATED 2005-12-22 US disclosed
US-20050244937-A1 Contacting a polypeptide with tryptophan or 2-hydroxy 2-(indol-3-ylmethyl)-4-keto glutaric acid to facilitate a conversion of tryptophan to indole-3-pyruvate, a conversion of 2-hydroxy 2-(indol-3-ylmethyl)-4-keto glutaric acid to 2-Hydroxy-2-(indol-3-ylmethyl)-4-aminoglutaric acid (monatin) CARGILL, INC. 2005-11-03 US disclosed
US-20050221455-A1 Production of monatin and monatin precursors CARGILL, INC. 2005-10-06 US disclosed
US-20050170041-A1 Chewing gum compositions comprising monatin and methods for making same CARGILL, INC. 2005-08-04 US disclosed
US-20050112260-A1 Monatin tabletop sweetener compositions and methods of making same CARGILL, INC. 2005-05-26 US disclosed
US-20050106305-A1 Beverage compositions comprising monatin and methods of making same CARGILL, INC. 2005-05-19 US disclosed
WO-2005020721-A1 BEVERAGE COMPOSITIONS COMPRISING MONATIN AND METHODS OF MAKING SAME CARGILL, INCORPORATED (US) 2005-03-10 WO disclosed
WO-2005016022-A1 CHEWING GUM COMPOSITIONS COMPRISING MONATIN AND METHODS OF MAKING SAME CARGILL, INCORPORATED (US) 2005-02-24 WO disclosed
WO-2005014839-A2 MONATIN TABLETOP SWEETENER COMPOSITIONS AND METHODS OF MAKING SAME CARGILL, INCORPORATED (US) 2005-02-17 WO disclosed
US-20040063175-A1 Polypeptides and biosynthetic pathways CARGILL, INCORPORATED 2004-04-01 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-20050244937-A1 Contacting a polypeptide with tryptophan or 2-hydroxy 2-(indol-3-ylmethyl)-4-keto glutaric acid to facilitate a conversion of tryptophan to indole-3-pyruvate, a conversion of 2-hydroxy 2-(indol-3-ylmethyl)-4-keto glutaric acid to 2-Hydroxy-2-(indol-3-ylmethyl)-4-aminoglutaric acid (monatin) AADAT, KYAT3, MON2 LMNA 785/4885RNPEP 968/4885CA2 348/4885

“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.