SCHEMBL3962837

SCHEMBL3962837

COC(Cc1cccc(OCC(=O)N[C@H]2CC[C@H](C(C)(C)C)CC2)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CTSD P07339 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
USP2 O75604 1/20 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
SCHEMBL3964565 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C19ROCK2
SCHEMBL3962843 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C19ROCK2
SCHEMBL14501959 0.88 LMNA (0.50) SMN1; SMN2HPGDHTTRAB9ALMNA
SCHEMBL3964839 0.88 LMNA (0.50) SMN1; SMN2HPGDHTTRAB9ALMNA
SCHEMBL5360563 0.88 LMNA (0.50) SMN1; SMN2HPGDHTTRAB9ALMNA
SCHEMBL14501960 0.88 LMNA (0.50) SMN1; SMN2HPGDHTTRAB9ALMNA
SCHEMBL3959968 0.88 LMNA (0.50) SMN1; SMN2HPGDHTTRAB9ALMNA
SCHEMBL3959969 0.88 LMNA (0.50) SMN1; SMN2HPGDHTTRAB9ALMNA
SCHEMBL6149560 0.87 CTSD (0.41) CYP3A4CYP2C19HPGDRAB9APOLB
SCHEMBL5360187 0.85 CTSD (0.40) HTTLMNACNR1CNR2CTSD

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 18 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
EP-1675820-A2 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
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 WO 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-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 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
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US 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
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 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 (5 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 SMN1; SMN2 4550/4885CYP1A2 282/4885CYP3A4 268/4885
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 SMN1; SMN2 4630/4885CYP1A2 364/4885CYP3A4 1284/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A SMN1; SMN2 3900/4885CYP1A2 346/4885CYP3A4 288/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP SMN1; SMN2 3873/4885CYP1A2 2818/4885CYP3A4 3352/4885
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD SMN1; SMN2 4530/4885CYP1A2 883/4885CYP3A4 1163/4885

“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.