SCHEMBL1332891

SCHEMBL1332891

CC(O)(CC(N)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.46
SLC7A5 Q01650 1/20 0.43
GRIK2 Q13002 5/20 0.42
PTGS1 P23219 2/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
SLC1A2 P43004 6/20 0.39
SLC1A3 P43003 5/20 0.39
SLC1A1 P43005 5/20 0.39
TET2 Q6N021 1/20 0.39
GRIA2 P42262 3/20 0.38
GRIA4 P48058 3/20 0.38
GRIK3 Q13003 3/20 0.38
GRIK5 Q16478 3/20 0.38
GRIA1 P42261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38

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
SCHEMBL127215 1.00 GRIK1 (0.46) GRIK1SLC7A5GRIK2PTGS1SLC7A11
SCHEMBL1236556 0.81 SLC7A5 (0.46) GRIK1SLC7A5GRIK2PTGS1SLC7A11
SCHEMBL935820 0.81 SLC7A5 (0.46) GRIK1SLC7A5GRIK2PTGS1SLC7A11
SCHEMBL31215074 0.81 SLC7A5 (0.46) GRIK1SLC7A5GRIK2PTGS1SLC7A11
SCHEMBL25661908 0.81 SLC7A5 (0.46) GRIK1SLC7A5GRIK2PTGS1SLC7A11
SCHEMBL2265481 0.79 SLC7A5 (0.44) GRIK1SLC7A5GRIK2PTGS1SLC7A11
SCHEMBL2265477 0.79 SLC7A5 (0.44) GRIK1SLC7A5GRIK2PTGS1SLC7A11
SCHEMBL25564418 0.79 FDPS (0.45) GRIK1SLC7A5GRIK2PTGS1SLC1A2
SCHEMBL196695 0.78 SLC7A5 (0.48) GRIK1SLC7A5GRIK2PTGS1SLC7A11
SCHEMBL197139 0.78 SLC7A5 (0.48) GRIK1SLC7A5GRIK2PTGS1SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9101662-B2 Compositions with modulating agents FOAMIX PHARMACEUTICALS LTD. (IL) 2015-08-11 US claimed
US-8795693-B2 Compositions with modulating agents FOAMIX LTD. (IL) 2014-08-05 US claimed
EP-2097065-A2 FOAMABLE WATERLESS COMPOSITIONS WITH MODULATING AGENTS Foamix Ltd. (IL) 2009-09-09 EP claimed
WO-2008152444-A2 FOAMABLE WATERLESS COMPOSITIONS WITH MODULATING AGENTS FOAMIX LTD. (US) 2008-12-18 WO claimed
US-20080206159-A1 Drug mixture contains solvents, nonionic surfactants, gelling agent, therapeutic active agent, liquefied or compressed gas propellant; pressurized dispenser; treating skin diseases, dermal and mucosal delivery; stable and non-irritating emulsions FOAMIX LTD. (IL) 2008-08-28 US claimed
US-4363815-A Alpha hydroxyacids, alpha ketoacids and their use in treating skin conditions YU RUEY J 1982-12-14 US claimed
US-10842784-B2 Treatment of energy utilization disease VIDA PHARMA LIMITED (GB) 2020-11-24 US disclosed
US-20190029941-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS Dermaforce Holdings, LLC 2019-01-31 US disclosed
US-10123960-B2 Methods for treating of skin conditions with retinoid double conjugate compounds PCR TECHNOLOGY HOLDINGS, LC (US) 2018-11-13 US disclosed
US-9673030-B2 Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry EMORY UNIVERSITY (US) 2017-06-06 US disclosed
US-20160287507-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS Dermaforce Holdings, LLC 2016-10-06 US disclosed
EP-3068495-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS US CosmeceuTechs LLC (US) 2016-09-21 EP disclosed
US-20160151341-A1 TREATMENT OF ENERGY UTILIZATION DISEASE SUMMIT CORPORATION PLC (GB) 2016-06-02 US disclosed
EP-1860441-A2 Neurotoxic amino acid or neurotoxic derivative thereof associated with neurological disorders The Institute for Ethnomedicine (US) 2007-11-28 EP disclosed
EP-1664793-B1 NEUROTOXIC AMINO ACID OR NEUROTOXIC DERIVATIVE THEREOF ASSOCIATED WITH NEUROLOGICAL DISORDERS INST ETHNOMEDICINE (US) 2007-11-07 EP disclosed
US-20070254315-A1 SCREENING FOR NEUROTOXIC AMINO ACID ASSOCIATED WITH NEUROLOGICAL DISORDERS THE INSTITUTE FOR ETHNOMEDICINE (US) 2007-11-01 US disclosed
US-7256002-B2 Screening for neurotoxic amino acid associated with neurological disorders THE INSTITUTE FOR ETHNOMEDICINE (US) 2007-08-14 US disclosed
CN-1890377-A Production of monatin and monatin precursors CARGILL INC (US) 2007-01-03 CN disclosed
US-20050042686-A1 Neurotoxic amino acid or neurotoxic derivative thereof associated with neurological disorders NATIONAL TROPICAL BOTANICAL GARDEN 2005-02-24 US disclosed
US-4363815-A Alpha hydroxyacids, alpha ketoacids and their use in treating skin conditions YU RUEY J 1982-12-14 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 (6 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-10123960-B2 Methods for treating of skin conditions with retinoid double conjugate compounds RARA, LRAT, RARG GRIK1 3282/4885SLC7A5 1015/4885GRIK2 2943/4885
US-10842784-B2 Treatment of energy utilization disease IRS1, SLC2A1, INSR GRIK1 1848/4885SLC7A5 833/4885GRIK2 1800/4885
US-20080206159-A1 Drug mixture contains solvents, nonionic surfactants, gelling agent, therapeutic active agent, liquefied or compressed gas propellant; pressurized dispenser; treating skin diseases, dermal and mucosal delivery; stable and non-irritating emulsions CUTA, SLTM, SMO GRIK1 2104/4885SLC7A5 4410/4885GRIK2 2050/4885
US-20190029941-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS RARA, RARG, RXRA GRIK1 3813/4885SLC7A5 3536/4885GRIK2 3487/4885
US-20160287507-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS RARA, RARG, RXRA GRIK1 2917/4885SLC7A5 2323/4885GRIK2 2789/4885
US-20160151341-A1 TREATMENT OF ENERGY UTILIZATION DISEASE IRS1, SLC2A1, INSR GRIK1 1848/4885SLC7A5 833/4885GRIK2 1800/4885

“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.