SCHEMBL9153

SCHEMBL9153

CCCC(=O)NCCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.53
HPGD P15428 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CTSD P07339 1/20 0.41
NAAA Q02083 1/20 0.41
FAAH O00519 3/20 0.40
ALDH1A1 P00352 2/20 0.39
DNM1 Q05193 1/20 0.38

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
SCHEMBL28191949 0.86 CASP2 (0.40) CASP2HPGDHDAC3HDAC1HDAC2
SCHEMBL20003982 0.85 MCL1 (0.50) CASP2HPGDCTSDNAAAFAAH
SCHEMBL15474110 0.85 FAAH (0.61) CASP2HPGDNAAAFAAHALDH1A1
SCHEMBL840400 0.83 MEN1 (0.56) ALDH1A1
SCHEMBL21078226 0.82 CASP2 (0.57) CASP2HPGDNAAAFAAHDNM1
SCHEMBL22479312 0.81 NAAA (0.47) CASP2HDAC3NAAAALDH1A1
SCHEMBL20000768 0.81 CASP2 (0.55) CASP2HPGDHDAC3HDAC1HDAC2
SCHEMBL2633147 0.79 CASP2 (0.70) CASP2HPGDHDAC3HDAC1HDAC2
SCHEMBL20045681 0.79 CYP3A4 (0.39) CASP2HDAC3HDAC6ALDH1A1
SCHEMBL4565411 0.78 CASP2 (0.47) CASP2HPGDHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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 (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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP CASP2 1001/4885HPGD 3002/4885HDAC3 2751/4885

“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.