SCHEMBL2507637

SCHEMBL2507637

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

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

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
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 4/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPK1 P28482 4/20 0.49
GMNN O75496 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
TP53 P04637 3/20 0.49
TSHR P16473 3/20 0.49
HSP90AA1 P07900 2/20 0.49
BLM P54132 2/20 0.49
NR1H4 Q96RI1 2/20 0.49
CYP2C9 P11712 2/20 0.49
HIF1A Q16665 2/20 0.49
GLA P06280 1/20 0.48
PMP22 Q01453 1/20 0.48
HRH1 P35367 1/20 0.42
CYP2C19 P33261 2/20 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
SCHEMBL27469410 0.98 LMNA (0.60) LMNASMN1; SMN2CYP1A2MAPTMEN1
Zinc Ion SCHEMBL7620932 0.97 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL27669980 0.97 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL3899729 0.97 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL27768779 0.93 LMNA (0.66) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL27925466 0.93 LMNA (0.66) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL27493791 0.92 LMNA (0.64) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL94476 0.87 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL93717 0.87 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL2163300 0.87 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245537-A1 L-carnitine calcium fumarate, preparation method and application for the same Liaoning Konepnutra Co., Ltd 2011-10-06 US disclosed
EP-2125700-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME Shenyang Koncepnutra Corporation, Limited (CN) 2009-12-02 EP disclosed
US-20090281183-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SHENYANG KONCEPNUTRA CORPORATION, LIMITED (CN) 2009-11-12 US disclosed
WO-2008080287-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SHENYANG KONCEPNUTRA CORPORATION, LIMITED (CN) 2008-07-10 WO disclosed
CN-1219748-C Solid compositions suitable for oral administration containing non-hydroscopic salts of L-carnitine and alkanoyl L-carnitines with taurine chloride and glycine chloride SIGMA TAU IND FARMACEUTI (IT) 2005-09-21 CN disclosed
CN-1473144-A Solid compositions suitable for oral administration containing non-hygroscopic salts of L-carnitine and alkanoyl L-carnitines with taurine chloride and glycine chloride ϣ��������ҩ��ҵ��˾ 2004-02-04 CN disclosed
WO-2002059075-A1 SALTS OF CARNITINES USEFUL AS DIETARY/NUTRITIONAL SUPPLEMENTS OR DRUGS, PROCESSES FOR PREPARING SAME AND COMPOSITIONS CONTAINING SUCH SALTS FASSI, ALDO (IT) 2002-08-01 WO disclosed
US-6130249-A Solid compositions suitable for oral administration comprising L-carnitine and alkanoyl-L-carnitine magnesium tartrate SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2000-10-10 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 (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-20090281183-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SLC25A20, FH, CA2 LMNA 679/4885SMN1; SMN2 685/4885CYP1A2 3035/4885
US-20110245537-A1 L-carnitine calcium fumarate, preparation method and application for the same SLC25A20, FH, CA2 LMNA 681/4885SMN1; SMN2 691/4885CYP1A2 3057/4885

“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.