SCHEMBL3190190

SCHEMBL3190190

N[C@@H](CS)C(=O)OC(=O)CC[C@H](N)C(=O)OC(=O)[C@@H](N)CS

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
SLC7A11 Q9UPY5 1/20 0.40
ENPEP Q07075 8/20 0.35
ANPEP P15144 3/20 0.35
SLC1A1 P43005 2/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL344252 0.89 PTGS1 (0.52) PTGS1SLC7A11ENPEPANPEPSLC1A1
SCHEMBL7927272 0.88 PTGS1 (0.46) PTGS1SLC7A11ENPEPANPEP
SCHEMBL2873837 0.88 PTGS1 (0.46) PTGS1SLC7A11ENPEPANPEP
SCHEMBL1534032 0.85 ENPEP (0.53) PTGS1SLC7A11ENPEPANPEPSLC1A1
SCHEMBL285917 0.85 ALOX15 (0.50) PTGS1SLC7A11ENPEPANPEPSLC1A1
Hydrochloric Acid SCHEMBL3242018 0.84 PTGS1 (0.34) PTGS1SLC7A11ENPEPANPEP
SCHEMBL1964879 0.83 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEP
SCHEMBL20657045 0.83 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEP
SCHEMBL1674762 0.82 SLC1A1 (0.54) ENPEPANPEPSLC1A1GRM8GRM6
SCHEMBL28571398 0.82 ALOX15 (0.52) SLC1A1GRM8GRM6GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107708432-A Rumen bypass animal feed composition and preparation method thereof 拜内梅尔克公司 2018-02-16 CN claimed
EP-2671841-B1 NANOPARTICLE COATED WITH LIGAND INTRODUCED WITH LONG HYDROPHOBIC CHAIN AND METHOD FOR PREPARING SAME CELLBION CO LTD (KR) 2017-11-29 EP claimed
CN-101508416-A Single or multicomponent organic acid surface finished II-VI group of semiconductor quantum point of sulfhydryl, and method for preparing the same UNIV SHANGHAI (CN) 2009-08-19 CN claimed
US-20240140971-A1 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY THE JOHNS HOPKINS UNIVERSTY 2024-05-02 US disclosed
US-20230181603-A1 METHODS OF TREATING CANCER WITH METABOLITE ADJUSTMENTS LAWRENCE GUS (US) 2023-06-15 US disclosed
CN-113774072-B Citrate synthase gene, citrate synthase, use as target and herbicide 湖南省农业科学院 2023-05-02 CN disclosed
CN-115119850-A Compound mildew-proof antibacterial agent, preparation method thereof, long-acting mildew-proof alcohol-type sealant and preparation method thereof 浙江新安化工集团股份有限公司 2022-09-30 CN disclosed
CN-111518844-B Preparation method of nano-selenium 武汉轻工大学 2022-02-08 CN disclosed
EP-3407861-A1 GLYCOL ESTERS OF DICAFFEOYLQUINIC ACID AND USES THEREOF Plant Advanced Technologies Pat (FR) 2018-12-05 EP disclosed
CN-107708432-A Rumen bypass animal feed composition and preparation method thereof 拜内梅尔克公司 2018-02-16 CN disclosed
US-20140023583-A1 METHOD OF MEASURING AND COMPARING LEVELS OF SUBSTANCES IN AN INDIVIDUAL'S BODY MCFAUL WILLIAM J (US) 2014-01-23 US disclosed
CN-103380108-A Palladium-copper catalyst for homogeneous selective oxidation of thiol groups IVY PHARM LTD LIABILITY COMPANY 2013-10-30 CN disclosed
US-20100203579-A1 METHOD OF MEASURING AND COMPARING LEVELS OF SUBSTANCES IN AN INDIVIDUAL'S BODY MCFAUL WILLIAM J 2010-08-12 US disclosed
US-7659362-B2 Recombinant copper or zinc binding polypeptides; used for bioremediation ACADEMIA SINICA (TW) 2010-02-09 US disclosed
US-20090280195-A1 Methods for the treatment of addictive disease and addiction to chemical substances and addictive behaviors using a formula containing the following formulation: Mucuna pruiens, N Acetyl L Cysteine, Magnesium Citrate HOSHOUR THOMAS EUGENE 2009-11-12 US disclosed
CN-101508416-A Single or multicomponent organic acid surface finished II-VI group of semiconductor quantum point of sulfhydryl, and method for preparing the same UNIV SHANGHAI (CN) 2009-08-19 CN disclosed
US-20070281333-A1 METAL-BINDING MOTIF COMPOSITIONS AND METHODS ACADEMIA SINICA (TW) 2007-12-06 US disclosed
US-5424185-A Human high-affinity neurotransmitter uptake system BAYLOR COLLEGE OF MEDICINE (US) 1995-06-13 US disclosed
US-4243691-A COMPRISING A NUCLEIC ACID OR SALT, A POTASSIUM PHOSPHATE, A SUGAR, POTASSIUM CHLORIDE, AND A VEGETABLE PROTEIN HYDROLYZATE THE PROCTER & GAMBLE COMPANY (US) 1981-01-06 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-20240140971-A1 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY PSMA3, PSMA6, PSMA7 PTGS1 2579/4885SLC7A11 1847/4885ENPEP 108/4885

“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.