SCHEMBL3032095

SCHEMBL3032095

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(Br)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 5/20 0.53
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
HSD17B10 Q99714 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 4/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALOX12 P18054 1/20 0.52
ABCB1 P08183 3/20 0.52
CACNA1F O60840 3/20 0.52
CACNA1D Q01668 3/20 0.52
CACNA1S Q13698 3/20 0.52
CACNA1C Q13936 3/20 0.52
CYP2C9 P11712 3/20 0.51

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
SCHEMBL3030379 0.90 MTOR (0.53) MTORRAB9AKDM4EALDH1A1NPSR1
SCHEMBL8224290 0.86 KDM4E (0.46) MTORRAB9AKDM4EALDH1A1NPSR1
SCHEMBL10949730 0.86 KDM4E (0.54) MTORKDM4EALDH1A1NPSR1POLB
SCHEMBL3017213 0.84 NR3C2 (0.52) KDM4EALDH1A1POLBHSD17B10MEN1
SCHEMBL3027183 0.81 ADORA3 (0.59) MTORRAB9AKDM4EALDH1A1NPSR1
SCHEMBL7154933 0.81 MTOR (0.62) MTORRAB9AKDM4EALDH1A1NPSR1
SCHEMBL3032551 0.79 CACNA1F (0.66) KDM4EALDH1A1POLBGPR55HSD17B10
SCHEMBL3032439 0.79 MTOR (0.59) MTORRAB9AKDM4EALDH1A1NPSR1
SCHEMBL3017205 0.78 KDM4E (0.76) KDM4EALDH1A1NPSR1POLBGPR55
SCHEMBL11782199 0.77 HPGD (0.54) KDM4EALDH1A1NPSR1POLBGPR55

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 16 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-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-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 MTOR 1019/4885RAB9A 3630/4885KDM4E 4629/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 MTOR 1517/4885RAB9A 3592/4885KDM4E 4759/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 MTOR 1517/4885RAB9A 3592/4885KDM4E 4759/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 MTOR 1517/4885RAB9A 3592/4885KDM4E 4759/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 MTOR 1517/4885RAB9A 3592/4885KDM4E 4759/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 MTOR 1517/4885RAB9A 3592/4885KDM4E 4759/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 MTOR 1517/4885RAB9A 3592/4885KDM4E 4759/4885

“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.