SCHEMBL6062940

SCHEMBL6062940

N[C@@H](CSSC[C@H](N)C(=O)Oc1cccccccs1)C(=O)Oc1cccccccs1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.42
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DNMT1 P26358 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL4350616 0.94 KIF11 (0.41) KIF11MMP1MMP2MMP9MMP12
SCHEMBL9878919 0.84 KIF11 (0.40) KIF11MMP1MMP2MMP9MMP12
SCHEMBL2009145 0.81 MMP1 (0.41) KIF11MMP1MMP2MMP9MMP12
SCHEMBL28535887 0.81 KIF11 (0.36) KIF11MMP1MMP2MMP9MMP12
SCHEMBL5680233 0.79 ALPI (0.51) SLC1A3SLC1A2SLC1A1PKM
SCHEMBL2403306 0.78 SLC7A5 (0.51) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
SCHEMBL14227031 0.78 ATM (0.44) KIF11SLC1A3PKMIDO1
SCHEMBL14150614 0.78 ATM (0.44) KIF11SLC1A3PKMIDO1
SCHEMBL14150613 0.78 ATM (0.44) KIF11SLC1A3PKMIDO1
SCHEMBL58410 0.77 MMP2 (0.40) KIF11MMP1MMP2MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074900-B2 Alleviation of the allergenic potential of airborne and contact allergens by thioredoxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-07-11 US disclosed
US-6838113-B1 Increasing the digestibility of food proteins by thioredoxin reduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-04 US disclosed
US-20040091578-A1 Stabilization of hypoallergenic, hyperdigestible previously reduced proteins THE REGENTS OF UNIVERSITY OF CALIFORNIA 2004-05-13 US disclosed
US-20040071738-A1 Alleviation of the allergenic potential of airborne and contact allergens by thioredoxin BUCHANAN BOB B (US) 2004-04-15 US disclosed
US-6677433-B2 PROTEINS ARE REDUCED WITH THIOL REDOX PROTEINS AND FURTHER REACTED WITH CYSTAMINE OR OXIDIZED GLUTATHIONE TO PREVENT REOXIDATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-01-13 US disclosed
US-20030215542-A1 Use of thiol redox proteins for reducing protein intramolecular disulfide bonds, for improving the quality of cereal products, dough and baked goods and for inactivating snake, bee and scorpion toxins BUCHANAN BOB B (US) 2003-11-20 US disclosed
US-6610334-B1 Reducing cystine containing animal and plant proteins, and improving dough and baked goods' characteristics is provided which includes the steps of mixing dough ingredients with a thiol redox protein to form a dough and baking the dough to THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-08-26 US disclosed
US-6600021-B1 Enzyme inhibitor for use in the preparation of dough and baked goods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-07-29 US disclosed
US-6583271-B1 Reduction of amylase inhibitor proteins in sample; obtain thioredoxin, reduce prsence, monitor adjustment in enzyme activity in sample THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-24 US disclosed
US-6555116-B1 Hypo-allergenic pollen protein that has been treated with thioredoxin, nicotinamide adenine dinucleotide phosphate-thioredoxin reductase (NTR) and reduced nicotinamide adenine dinucleotide phosphate (NADPH). REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-04-29 US disclosed
US-5952034-A FOOD TREATMENT WITH THIOREDOXIN, NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE-THIOREDOXIN REDUCTASE, REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (NADPH)AND ADMINISTERING TREATED FOOD TO ANIMAL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-14 US disclosed
WO-1999020122-A1 INCREASING THE DIGESTIBILITY OF FOOD PROTEINS BY THIOREDOXIN REDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-04-29 WO disclosed
EP-0672127-B1 USE OF THIOL REDOX PROTEINS FOR REDUCING DISULFIDE BONDS UNIV CALIFORNIA (US) 1999-01-07 EP disclosed
EP-0863154-A1 Use of thiol redox proteins for reducing protein intramolecular disulfide bonds, for improving the quality of cereal products, dough and baked goods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-09-09 EP disclosed
US-5792506-A DISULFIDE BONDS ARE REDUCED TO SULFHYDRYL DECREASING ALLERGENICITY OF FEEDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-08-11 US disclosed
EP-0784676-A1 NEUTRALIZATION OF FOOF ALLERGENS BY THIOREDOXIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-23 EP disclosed
WO-1996012799-A1 NEUTRALIZATION OF FOOF ALLERGENS BY THIOREDOXIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-05-02 WO disclosed
EP-0672127-A4 USE OF THIOL REDOX PROTEINS FOR REDUCING DISULFIDE BONDS. UNIV CALIFORNIA (US) 1996-03-27 EP disclosed
EP-0672127-A1 USE OF THIOL REDOX PROTEINS FOR REDUCING DISULFIDE BONDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-09-20 EP disclosed
WO-1993008274-A1 USE OF THIOL REDOX PROTEINS FOR REDUCING DISULFIDE BONDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-04-29 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-20040071738-A1 Alleviation of the allergenic potential of airborne and contact allergens by thioredoxin TXNRD1, TXN2, TXNRD3 KIF11 4416/4885MMP1 186/4885MMP2 835/4885

“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.