SCHEMBL3385393

SCHEMBL3385393

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nearest known ligand 0.47

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 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.38
PDE4A P27815 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
KDM4E B2RXH2 2/20 0.33

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
Gluconic Acid SCHEMBL887105 0.94 LMNA (0.59) LMNAL3MBTL1PDE4ATDP1USP2
Gluconic Acid SCHEMBL3389955 0.91 LMNA (0.59) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL10596732 0.84 PDE4A (0.47) LMNAL3MBTL1PDE4ATDP1USP2
Gluconic Acid SCHEMBL3710793 0.81 LMNA (0.65) LMNAL3MBTL1PDE4ATDP1USP2
Mannitol SCHEMBL4182132 0.81 LMNA (0.61) LMNAL3MBTL1PDE4ATDP1USP2
Silver SCHEMBL18889837 0.81 LMNA (0.58) LMNAL3MBTL1PDE4ATDP1USP2
Gluconic Acid SCHEMBL547729 0.80 LMNA (0.62) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL9360101 0.79 LMNA (0.56) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL9142871 0.79 PDE4A (0.59) LMNAL3MBTL1PDE4ATDP1USP2
Potassium Ion SCHEMBL3187155 0.79 LMNA (0.50) LMNAL3MBTL1PDE4ATDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434869-B1 METHOD FOR PREPARING CALCIUM GLUCONATE PURAC BIOCHEM NV (NL) 2010-12-15 EP claimed
US-20090104339-A1 METHOD FOR PREPARING CALCIUM GLUCONATE PURAC BIOCHEM B.V. (NL) 2009-04-23 US claimed
US-20040253345-A1 Method for preparing calcium gluconate PURAC BIOCHEM B.V. (NL) 2004-12-16 US claimed
EP-1434869-B1 METHOD FOR PREPARING CALCIUM GLUCONATE PURAC BIOCHEM NV (NL) 2010-12-15 EP disclosed
US-7618664-B2 Method for preparing calcium gluconate COOPERATIEVE VERKOOP-EN PRODUCTIEVERENIGING VAN AARDAPPELMEEL EN DERIVATEN AVEBE B.A. (NL) 2009-11-17 US disclosed
US-20090104339-A1 METHOD FOR PREPARING CALCIUM GLUCONATE PURAC BIOCHEM B.V. (NL) 2009-04-23 US disclosed
US-20070003672-A1 Tri-part calcium fortified compositions and methods of making the same COCO-COLA COMPANY 2007-01-04 US disclosed
US-20070003671-A1 Two-part calcium fortified compositions and methods of making the same COCO-COLA COMPANY 2007-01-04 US disclosed
US-20060270650-A1 Combination therapy for the treatment of obesity MACNEIL TANYA 2006-11-30 US disclosed
US-20040253345-A1 Method for preparing calcium gluconate PURAC BIOCHEM B.V. (NL) 2004-12-16 US disclosed
EP-1434869-A1 METHOD FOR PREPARING CALCIUM GLUCONATE PURAC BIOCHEM N.V. (NL) 2004-07-07 EP disclosed
WO-2003031635-A1 METHOD FOR PREPARING CALCIUM GLUCONATE PURAC BIOCHEM B.V. (NL) 2003-04-17 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 (1 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-20060270650-A1 Combination therapy for the treatment of obesity GPR119, GANC, GANAB LMNA 1227/4885L3MBTL1 4698/4885PDE4A 1136/4885

“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.