SCHEMBL2898626

SCHEMBL2898626

NC(CCC(=O)NC(CSCCO)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.65
GSTK1 Q9Y2Q3 1/20 0.65
GLO1 Q04760 3/20 0.58
NOD1 Q9Y239 4/20 0.41
FOLH1 Q04609 2/20 0.39
BHMT Q93088 1/20 0.38
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GSR P00390 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRIK1 P39086 1/20 0.37
GRM5 P41594 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37

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
SCHEMBL11867151 1.00 PTGS1 (0.65) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL7081151 0.93 PTGS1 (0.68) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL7081152 0.93 PTGS1 (0.68) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL346450 0.91 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL21067395 0.91 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL346451 0.91 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL16802059 0.91 PTGS1 (0.60) PTGS1GSTK1GLO1NOD1BHMT
SCHEMBL11866518 0.90 PTGS1 (0.65) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL11866538 0.90 PTGS1 (0.65) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL800525 0.89 PTGS1 (0.64) PTGS1GSTK1GLO1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12474327-B2 Metabolic profiling for the diagnosis of a subset of idiopathic autism spectrum disorder patients, ADS Phenotype 1 STALICLA SA (CH) 2025-11-18 US disclosed
US-20250076302-A1 DETECTING THE PRESENCE OF URINARY STONE DISEASE USING A PLURALITY OF URINARY METABOLITES THE CLEVELAND CLINIC FOUNDATION 2025-03-06 US disclosed
CN-111511406-B Challenge test for diagnosing autism spectrum disease subtypes 斯大利卡拉公司 2023-04-28 CN disclosed
US-11364311-B2 Method of identifying ASD phenotype 1 patients Stalicla S.A. (CH) 2022-06-21 US disclosed
US-11357871-B2 Challenge test for diagnosing subtypes of ASD Stalicla S.A. (CH) 2022-06-14 US disclosed
US-20220003753-A1 METABOLIC PROFILING FOR THE DIAGNOSIS OF A SUBSET OF IDIOPATHIC AUTISM SPECTRUM DISORDER PATIENTS, ADS PHENOTYPE 1 STALICLA SA (CH) 2022-01-06 US disclosed
EP-3877540-A1 METABOLIC PROFILING FOR THE DIAGNOSIS OF A SUBSET OF IDIOPATHIC AUTISM SPECTRUM DISORDER PATIENTS, ASD PHENOTYPE 1 Stalicla S.A. (CH) 2021-09-15 EP disclosed
CN-113166811-A Metabolic profiling for diagnosing subtype ASD phenotype 1 in patients with idiopathic autism spectrum disorders 斯大利卡拉公司 2021-07-23 CN disclosed
US-20210187127-A1 CHALLENGE TEST FOR DIAGNOSING A SUBTYPE OF AUTISM SPECTRUM DISEASE STALICLA SA (CH) 2021-06-24 US disclosed
EP-3706806-A1 CHALLENGE TEST FOR DIAGNOSING A SUBTYPE OF AUTISM SPECTRUM DISEASE Stalicla S.A. (CH) 2020-09-16 EP disclosed
US-20190274334-A1 COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-09-12 US disclosed
US-20190134230-A1 CHALLENGE TEST FOR DIAGNOSING SUBTYPES OF ASD Stalicla S.A. (CH) 2019-05-09 US disclosed
US-20190134229-A1 METHOD OF IDENTIFYING ASD PHENOTYPE 1 PATIENTS Stalicla S.A. (CH) 2019-05-09 US disclosed
EP-3479845-A1 CHALLENGE TEST FOR DIAGNOSING SUBTYPE OF AUTISM SPECTRUM DISEASE Stalicla S.A. (CH) 2019-05-08 EP disclosed
EP-3442352-A1 COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2019-02-20 EP disclosed
WO-2017181062-A1 COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2017-10-19 WO disclosed
US-8847000-B2 Composition for alkylation and method for detoxifying a harmful compound by using the composition NIPPON SHEET GLASS COMPANY, LIMITED (JP) 2014-09-30 US disclosed
US-20100286424-A1 METHOD OF DETOXIFYING A HARMFUL COMPOUND NIPPON SHEET GLASS COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20090326313-A1 Composition for the Alkylation and a Method For Detoxifying a Harmful Compound by Using The Composition NIPPON SHEET GLASS COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-3984569-A Cosmetic compositions for treating the hair containing S-substituted derivatives of glutathione L'OREAL (FR) 1976-10-05 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-20100286424-A1 METHOD OF DETOXIFYING A HARMFUL COMPOUND SCLY, AS3MT, GSTA2 PTGS1 3107/4885GSTK1 46/4885GLO1 422/4885

“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.