SCHEMBL2517754

SCHEMBL2517754

C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCC(=O)O.[Ca+2]

nearest known ligand 0.69

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.69
▸ MEN1 O00255 5/20 0.68
▸ KMT2A Q03164 5/20 0.68
▸ MAPK1 P28482 4/20 0.68
▸ LMNA P02545 4/20 0.68
▸ MAPT P10636 4/20 0.68
▸ GMNN O75496 3/20 0.68
▸ NPSR1 Q6W5P4 3/20 0.68
▸ TP53 P04637 3/20 0.68
▸ TSHR P16473 3/20 0.68
▸ HSP90AA1 P07900 2/20 0.68
▸ BLM P54132 2/20 0.68
▸ NR1H4 Q96RI1 2/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ GLA P06280 1/20 0.66
▸ PMP22 Q01453 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ SLC25A20 O43772 3/20 0.50
▸ CYP2D6 P10635 2/20 0.50

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
SCHEMBL28289386 0.88 CYP1A2 (0.77) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL22116262 0.88 CYP1A2 (0.77) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL22116165 0.88 CYP1A2 (0.77) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL29440234 0.88 CYP1A2 (0.82) CYP1A2MEN1KMT2AMAPK1LMNA
Butyryl-Carnitine SCHEMBL3902301 0.88 CYP1A2 (0.77) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL22116167 0.88 CYP1A2 (0.82) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL5421346 0.87 MEN1 (0.69) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL5421345 0.87 MEN1 (0.69) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL22057079 0.87 CYP1A2 (0.66) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL29652051 0.87 MAPK1 (0.83) CYP1A2MEN1KMT2AMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034833-B2 Phosphorus binder for treatment of renal disease BIOLINK LIFE SCIENCES, INC. (US) 2011-10-11 — — US disclosed
US-20090239914-A1 Phosphorus binder for treatment of renal disease BIOLINK LIFE SCIENCES, INC. 2009-09-24 — — US disclosed
US-7572832-B2 Non-hygroscopic L-carnitine salts BIOLINK LIFE SCIENCES, INC. (US) 2009-08-11 — — US disclosed
WO-2008116215-A2 PHOSPHORUS BINDER FOR TREATMENT OF RENAL DISEASE BIOLINK LIFE SCIENCES, INC. (US) 2008-09-25 — — WO disclosed
US-20080234371-A1 Non-hygroscopic L-carnitine salts BIOLINK LIFE SCIENCES, INC. 2008-09-25 — — US disclosed
WO-2008115915-A2 NON-HYGROSCOPIC L-CARNITINE SALTS BIOLINK LIFE SCIENCES, INC. (US) 2008-09-25 — — 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-20090239914-A1 Phosphorus binder for treatment of renal disease ALPI, PHPT1, FABP2 CYP1A2 3238/4885MEN1 2872/4885KMT2A 3908/4885
US-20080234371-A1 Non-hygroscopic L-carnitine salts CRAT, SLC25A20, CPT1B CYP1A2 2226/4885MEN1 2186/4885KMT2A 2082/4885

“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.

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