SCHEMBL11396166

SCHEMBL11396166

CCCC(=O)NCCS(=O)(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.59
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSD P07339 1/20 0.41
FAAH O00519 3/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL12643925 0.88 CASP2 (0.55) CASP2NAAAFAAHEPHX2
SCHEMBL4760134 0.88 CASP2 (0.66) CASP2NAAAALDH1A1HPGDMEN1
SCHEMBL17753990 0.88 CASP2 (0.66) CASP2NAAAALDH1A1HPGDMEN1
SCHEMBL19137795 0.86 CASP2 (0.58) CASP2NAAAALDH1A1FAAHEPHX2
SCHEMBL6571910 0.86 CASP2 (0.63) CASP2NAAAALDH1A1HPGDMEN1
SCHEMBL6569733 0.86 CASP2 (0.63) CASP2NAAAALDH1A1HPGDMEN1
SCHEMBL258662 0.85 CASP2 (0.61) CASP2NAAAALDH1A1FAAHEPHX2
SCHEMBL21274180 0.85 CASP2 (0.61) CASP2NAAAALDH1A1FAAHEPHX2
SCHEMBL11228741 0.85 CASP2 (0.61) CASP2NAAAALDH1A1FAAHEPHX2
SCHEMBL6856630 0.85 CASP2 (0.61) CASP2NAAAALDH1A1FAAHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220221433-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. 2022-07-14 US claimed
EP-3977112-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES Metabolon Inc. (US) 2022-04-06 EP claimed
CN-113892029-A Mass spectrometry method for detecting metabolites 梅塔博隆股份有限公司 2022-01-04 CN claimed
WO-2020242744-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. (US) 2020-12-03 WO claimed
CN-101268093-A Age inhibitors PHARMAMENS (FR) 2008-09-17 CN claimed
EP-0022022-A1 Acylated derivatives of taurine and their salts, and process for their preparation SOCIETE BFB (FR) 1981-01-07 EP claimed
WO-2023168249-A2 CYSTEAMIDES, THERAPEUTIC COMPOSITIONS THEREOF, AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-09-07 WO disclosed
US-20220221433-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. 2022-07-14 US disclosed
US-11377502-B2 Anti-MSR1 antibodies and methods of use thereof REGENERON PHARMACEUTICALS, INC. (US) 2022-07-05 US disclosed
US-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
US-20220112158-A1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDES AND PROTEIN CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2022-04-14 US disclosed
EP-3977112-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES Metabolon Inc. (US) 2022-04-06 EP disclosed
CN-113892029-A Mass spectrometry method for detecting metabolites 梅塔博隆股份有限公司 2022-01-04 CN disclosed
US-9657046-B2 Methods for the treatment and prevention of inflammatory diseases CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-05-23 US disclosed
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 US disclosed
EP-2513132-B1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID KYTHERA BIOPHARMACEUTICALS INC (US) 2016-03-09 EP disclosed
US-20140301996-A1 METHODS FOR THE TREATMENT AND PREVENTION OF INFLAMMATORY DISEASES UNIVERSITY OF BIRMINGHAM (GB) 2014-10-09 US disclosed
CN-101268093-B Age inhibitors PHARMAMENS 2013-04-03 CN disclosed
CN-101268093-A Age inhibitors PHARMAMENS (FR) 2008-09-17 CN disclosed
EP-0022022-A1 Acylated derivatives of taurine and their salts, and process for their preparation SOCIETE BFB (FR) 1981-01-07 EP 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 (5 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 CASP2 4374/4885NAAA 748/4885ALDH1A1 1650/4885
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 CASP2 4117/4885NAAA 205/4885ALDH1A1 4000/4885
US-20220112158-A1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDES AND PROTEIN CONJUGATES THEREOF NR1H4, NR1H3, OGFR CASP2 3864/4885NAAA 1801/4885ALDH1A1 1518/4885
US-20140301996-A1 METHODS FOR THE TREATMENT AND PREVENTION OF INFLAMMATORY DISEASES ICOS, HRH2, HRH4 CASP2 1920/4885NAAA 2526/4885ALDH1A1 886/4885
US-11377502-B2 Anti-MSR1 antibodies and methods of use thereof CD47, MSR1, LDLR CASP2 4096/4885NAAA 3844/4885ALDH1A1 3728/4885

“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.