SCHEMBL1631929

SCHEMBL1631929

CC(C)(C)OC(=O)NCCNc1cc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.42
PSEN2 P49810 5/20 0.42
APH1B Q8WW43 5/20 0.42
NCSTN Q92542 5/20 0.42
APH1A Q96BI3 5/20 0.42
PSENEN Q9NZ42 5/20 0.42
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
FEN1 P39748 2/20 0.37
ALOX5AP P20292 1/20 0.37
CNR2 P34972 1/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1632538 0.95 STK17B (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632953 0.87 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632500 0.84 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1633289 0.84 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632400 0.83 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632534 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12724175 0.83 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1633155 0.83 ACVR1B (0.40) ACVR1BTGFBR1ACVRL1STK17BSTK17A
SCHEMBL12724123 0.83 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12724158 0.83 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20060241302-A1 Morpholine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 US disclosed
EP-1640366-A1 HETEROCYCLIC METHYL SULFONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-29 EP 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 (1 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-20060241302-A1 Morpholine derivatives APP, BACE1, SMS PSEN1 4/4885PSEN2 16/4885APH1B 287/4885

“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.