Sugi Predict

Sugi Predict / Compounds / SCHEMBL3024692

SCHEMBL3024692

SCHEMBL3024692

CC1=C(C(=O)OC(C)(C)C)C(c2cccc(F)c2F)C(C(=O)OC(C)(C)C)=C(C)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 2/20 0.51
▸ CYP3A4 P08684 4/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ CYP2C19 P33261 4/20 0.47
▸ NR1I2 O75469 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ TBXAS1 P24557 2/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TP53 P04637 3/20 0.47
▸ ALDH1A1 P00352 4/20 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
SCHEMBL3027731 0.89 NR1I2 (0.52) NR3C2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL14427318 0.87 NR3C2 (0.49) NR3C2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL7884089 0.85 NR1I2 (0.59) CYP3A4CYP2C9CYP2C19NR1I2LMNA
SCHEMBL3032439 0.83 MTOR (0.59) CYP3A4CYP2C9CYP2C19NR1I2LMNA
SCHEMBL6953639 0.80 GAA (0.45) CYP3A4CYP2C9CYP2C19NR1I2LMNA
SCHEMBL3017213 0.80 NR3C2 (0.52) NR3C2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL3027068 0.79 CYP2C9 (0.65) NR3C2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL13285115 0.79 CYP2C9 (0.67) CYP3A4CYP2C9CYP2C19NR1I2LMNA
SCHEMBL3026933 0.78 LMNA (0.52) NR3C2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL3029881 0.78 NR3C2 (0.56) NR3C2CYP3A4CYP2C9CYP2C19NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 — — US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 — — US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 — — US disclosed
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 — — WO disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 — — US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 — — US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 — — US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 — — US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 — — US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 — — US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 — — US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 — — US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 — — US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 — — 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 (7 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 NR3C2 2619/4885CYP3A4 4253/4885CYP2C9 4840/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 NR3C2 3147/4885CYP3A4 3885/4885CYP2C9 4440/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 NR3C2 3147/4885CYP3A4 3885/4885CYP2C9 4440/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 NR3C2 3147/4885CYP3A4 3885/4885CYP2C9 4440/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 NR3C2 3147/4885CYP3A4 3885/4885CYP2C9 4440/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 NR3C2 3147/4885CYP3A4 3885/4885CYP2C9 4440/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 NR3C2 3147/4885CYP3A4 3885/4885CYP2C9 4440/4885

“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.