SCHEMBL3968491

SCHEMBL3968491

COC(Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
PPARG P37231 3/20 0.57
PPARD Q03181 3/20 0.57
PPARA Q07869 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.53
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 2/20 0.50
PARP1 P09874 1/20 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
SCHEMBL5358355 1.00 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1PPARGPPARD
SCHEMBL3960707 1.00 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1PPARGPPARD
SCHEMBL3968494 1.00 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1PPARGPPARD
SCHEMBL3960715 1.00 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1PPARGPPARD
SCHEMBL3960321 0.84 PPARG (0.51) ALDH1A1KMT2AMEN1PPARGPPARD
SCHEMBL3960331 0.84 PPARG (0.51) ALDH1A1KMT2AMEN1PPARGPPARD
SCHEMBL5721701 0.84 PPARG (0.51) ALDH1A1KMT2AMEN1PPARGPPARD
SCHEMBL5372547 0.84 PPARG (0.51) ALDH1A1KMT2AMEN1PPARGPPARD
SCHEMBL5364273 0.84 GPR34 (0.54) ALDH1A1KMT2AMEN1PPARGPPARD
SCHEMBL3959707 0.84 GPR34 (0.54) ALDH1A1KMT2AMEN1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US claimed
EP-1676833-A1 Propionic acid derivatives useful in the treatment of lipid disorders AstraZeneca AB (SE) 2006-07-05 EP claimed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US claimed
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 US claimed
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20070244198-A1 Carboxylic Derivatives LI LANNA 2007-10-18 US disclosed
US-20060258866-A1 Carboxylic derivates ASTRAZENECA AB, A SWEDEN CORPORATION 2006-11-16 US disclosed
EP-1676833-A1 Propionic acid derivatives useful in the treatment of lipid disorders AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 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 (4 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-20070244198-A1 Carboxylic Derivatives GPR119, CPT1A, PC ALDH1A1 323/4885KMT2A 3746/4885MEN1 3054/4885
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes GPR119, PPARA, PPARG ALDH1A1 1343/4885KMT2A 2833/4885MEN1 4633/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A ALDH1A1 230/4885KMT2A 2731/4885MEN1 2619/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP ALDH1A1 1921/4885KMT2A 4622/4885MEN1 2350/4885

“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.