SCHEMBL3408557

SCHEMBL3408557

CCOC(=O)C(=CN(C)C)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.55
CYP11B1 P15538 5/20 0.52
CYP11B2 P19099 5/20 0.52
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.40
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3408555 1.00 NPSR1 (0.55) NPSR1CYP11B1CYP11B2CES2CES1
SCHEMBL3412222 0.91 NPSR1 (0.50) NPSR1CYP11B1CYP11B2CES2CES1
SCHEMBL11372277 0.87 CES2 (0.46) NPSR1CYP11B1CYP11B2CES2KDM4E
SCHEMBL3544067 0.85 CES2 (0.51) NPSR1CES2POLBMAPT
SCHEMBL11376363 0.85 CES2 (0.51) NPSR1CES2POLBMAPT
SCHEMBL11388473 0.85 MAPT (0.56) NPSR1CES2CES1KDM4EPOLB
SCHEMBL18017493 0.85 DHODH (0.50) NPSR1CYP11B1CYP11B2CES2CES1
SCHEMBL184026 0.85 DHODH (0.50) NPSR1CYP11B1CYP11B2CES2CES1
SCHEMBL184027 0.85 DHODH (0.50) NPSR1CYP11B1CYP11B2CES2CES1
SCHEMBL16110337 0.84 NPSR1 (0.51) NPSR1CYP11B1CYP11B2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-4243406-A REDUCING INJURIES TO CROP PLANTS WHEN USING AN ALPHA-HALOACETANILIDE AS A HERBICIDE MONSANTO COMPANY (US) 1981-01-06 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB NPSR1 2307/4885CYP11B1 2133/4885CYP11B2 2188/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB NPSR1 2513/4885CYP11B1 2006/4885CYP11B2 2053/4885

“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.