SCHEMBL420635

SCHEMBL420635

COOC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.47
MAPK1 P28482 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CES1 P23141 1/20 0.43
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL5046100 0.83 KCNN4 (0.50) KCNN4MAPK1KMT2AMAPTPPARG
SCHEMBL22722985 0.83 KCNN4 (0.50) KCNN4MAPK1KMT2AMAPTPPARG
SCHEMBL2517938 0.83 KCNN4 (0.50) KCNN4MAPK1KMT2AMAPTPPARG
Quinoline SCHEMBL27818687 0.82 ALDH1A1 (0.46) KMT2APPARGPPARAALDH1A1ALOX15
SCHEMBL27785391 0.81 PPARA (0.44) KCNN4MAPK1KMT2AMAPTPPARG
SCHEMBL891406 0.79 ALDH1A1 (0.56) KCNN4MAPK1KMT2AMAPTPPARG
SCHEMBL3128240 0.78 MAPT (0.50) KCNN4MAPK1KMT2AMAPTPPARG
SCHEMBL8694822 0.77 ALDH1A1 (0.44) MAPK1KMT2AMAPTPPARGPPARA
SCHEMBL5691818 0.76 PPARG (0.61) KCNN4MAPK1KMT2AMAPTPPARG
SCHEMBL5322361 0.76 CYP2C19 (0.47) KCNN4MAPK1KMT2AMAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255989-A1 GLYCAN COMPOSITIONS AND USES THEREOF DSM NUTRITIONAL PRODUCTS LLC (US) 2023-08-17 US disclosed
US-11229660-B2 Glycan therapeutics and method of treating conditions associated with TMAO KALEIDO BIOSCIENCES, INC. (US) 2022-01-25 US disclosed
US-20210137956-A1 GLYCAN COMPOSITIONS AND USES THEREOF HERCULES CAPITAL, INC. 2021-05-13 US disclosed
US-20210113596-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF KALEIDO BIOSCIENCES, INC. (US) 2021-04-22 US disclosed
US-10881676-B2 Glycan therapeutics and related methods thereof KALEIDO BIOSCIENCES, INC. (US) 2021-01-05 US disclosed
US-10702542-B2 Glycan therapeutics and related methods thereof KALEIDO BIOSCIENCES, INC. (US) 2020-07-07 US disclosed
US-20200093845-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF HERCULES CAPITAL, INC. 2020-03-26 US disclosed
US-20200093851-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF HERCULES CAPITAL, INC. 2020-03-26 US disclosed
US-20190391092-A1 METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS) Oregon Institute of Science and Medicine 2019-12-26 US disclosed
US-10314853-B2 Glycan therapeutics and related methods thereof KALEIDO BIOSCIENCES, INC. (US) 2019-06-11 US disclosed
US-20170151269-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF HERCULES CAPITAL, INC. 2017-06-01 US disclosed
US-20170151268-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF HERCULES CAPITAL, INC. 2017-06-01 US disclosed
US-9492473-B2 Glycan therapeutics and related methods thereof KALEIDO BIOSCIENCES, INC. (US) 2016-11-15 US disclosed
US-20160213702-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF KALEIDO BIOSCIENCES, INC. (US) 2016-07-28 US disclosed
US-20120021061-A1 MEDICAL AND NUTRITIONAL FORMULATIONS COMVITA NEW ZEALAND LIMITED (NZ) 2012-01-26 US disclosed
US-20110287059-A1 HONEY ANALYSIS COMVITA NEW ZEALAND LIMITED (NZ) 2011-11-24 US disclosed
EP-2367444-A1 MEDICAL AND NUTRITIONAL FORMULATIONS Comvita New Zealand Limited (NZ) 2011-09-28 EP disclosed
EP-2368111-A1 HONEY ANALYSIS Comvita New Zealand Limited (NZ) 2011-09-28 EP disclosed
WO-2010082845-A1 HONEY ANALYSIS COMVITA NEW ZEALAND LIMITED (NZ) 2010-07-22 WO disclosed
WO-2010082846-A1 MEDICAL AND NUTRITIONAL FORMULATIONS COMVITA NEW ZEALAND LIMITED (NZ) 2010-07-22 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-20120021061-A1 MEDICAL AND NUTRITIONAL FORMULATIONS FABP6, NNT, IAPP KCNN4 1932/4885MAPK1 3386/4885KMT2A 3315/4885
US-20110287059-A1 HONEY ANALYSIS GLO1, GLMN, AGER KCNN4 1306/4885MAPK1 3482/4885KMT2A 1146/4885

“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.