Sugi Predict

Sugi Predict / Compounds / SCHEMBL876424

SCHEMBL876424

SCHEMBL876424

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ SLC7A11 Q9UPY5 1/20 0.48
▸ SLC1A1 P43005 5/20 0.44
▸ SLC1A3 P43003 4/20 0.44
▸ SLC1A2 P43004 4/20 0.44
▸ GRIK1 P39086 3/20 0.44
▸ GSR P00390 2/20 0.44
▸ GRIK2 Q13002 2/20 0.44
▸ GRM1 Q13255 2/20 0.44
▸ GRM2 Q14416 2/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ GRM8 O00222 1/20 0.44
▸ GRM6 O15303 1/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ GRIA3 P42263 1/20 0.44

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
SCHEMBL13880037 1.00 PTGS1 (0.48) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL931367 0.79 PTGS1 (0.44) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL25661908 0.79 SLC7A5 (0.46) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL1236556 0.79 SLC7A5 (0.46) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL935820 0.79 SLC7A5 (0.46) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL31215074 0.79 SLC7A5 (0.46) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL5280926 0.77 PTGS1 (0.42) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL25662320 0.77 PTGS1 (0.42) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL197139 0.76 SLC7A5 (0.48) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL196695 0.76 SLC7A5 (0.48) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498817-A2 A METHOD OF PROMOTING DENDRITIC SPINE DENSITY F. Hoffmann-La Roche AG (CH) 2012-09-19 — — EP disclosed
CN-102612374-A A method of promoting dendritic spine density HOFFMANN LA ROCHE 2012-07-25 — — CN disclosed
US-20120076785-A1 METHOD FOR INHIBITING NEURODEGENERATION GENENTECH, INC. (US) 2012-03-29 — — US disclosed
CN-102326083-A Methods for inhibiting neurodegeneration GENENTECH INC 2012-01-18 — — CN disclosed
EP-2399135-A2 METHOD FOR INHIBITING NEURODEGENERATION Sole (US) 2011-12-28 — — EP disclosed
US-20110223630-A1 METHOD FOR SCREENING FOR COMPOUNDS THAT INHIBIT NEURODEGENERATION GENENTECH, INC. 2011-09-15 — — US disclosed
CN-102124336-A Method for screening for compounds that inhibit neurodegeneration GENENTECH INC 2011-07-13 — — CN disclosed
WO-2011060246-A2 A METHOD OF PROMOTING DENDRITIC SPINE DENSITY GENENTECH, INC. (US) 2011-05-19 — — WO disclosed
US-20110110942-A1 METHOD OF PROMOTING DENDRITIC SPINE DENSITY GENENTECH, INC. (US) 2011-05-12 — — US disclosed
US-7935339-B2 Inhibition of the CD95 ligand/receptor system for the treatment of neurological disorders and injuries Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2011-05-03 — — US disclosed
WO-2004085479-A2 TREATMENT OF VIRAL INFECTIONS APOGENIX GMBH (DE) 2004-10-07 — — WO disclosed
WO-2004071528-A1 INHIBITION OF THE CD95 LIGAND/RECEPTOR SYSTEM FOR THE TREATMENT OF NEUROLOGICAL DISORDERS AND INJURIES Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2004-08-26 — — WO disclosed
EP-1447093-A1 Inhibition of the CD95 ligand/receptor system for the treatment of neurological disorders and injuries Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2004-08-18 — — EP disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 — — EP disclosed
US-20030119899-A1 Process and intermediates for making substituted aspartic acid acetals VERTEX PHARMACEUTICALS INCORPORATED 2003-06-26 — — US disclosed
US-20030119899-A1 Process and intermediates for making substituted aspartic acid acetals VERTEX PHARMACEUTICALS INCORPORATED 2003-06-26 — — US disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 — — US disclosed
EP-1278737-A2 PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS Vertex Pharmaceuticals Incorporated (US) 2003-01-29 — — EP disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 — — WO disclosed
WO-2001081330-A2 PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-11-01 — — 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 (2 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS PTGS1 967/4885SLC7A11 3598/4885SLC1A1 4158/4885
US-20030119899-A1 Process and intermediates for making substituted aspartic acid acetals CASP1, CASP4, CASP2 PTGS1 2116/4885SLC7A11 2748/4885SLC1A1 2399/4885

“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.