SCHEMBL20875702

SCHEMBL20875702

C=CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KIF11 P52732 1/20 0.36
HTT P42858 1/20 0.35
TK1 P04183 2/20 0.34
DUT P33316 1/20 0.34
CTSK P43235 3/20 0.34
ALOX15 P16050 2/20 0.34
CYP2C19 P33261 3/20 0.33
HIF1A Q16665 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
CYP2C9 P11712 2/20 0.32
SLC6A1 P30531 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2932652 1.00 TSHR (0.36) TSHRALDH1A1KIF11HTTTK1
SCHEMBL11296399 0.84 NPSR1 (0.36) TSHRALDH1A1KIF11TK1DUT
SCHEMBL18011761 0.84 NPSR1 (0.36) TSHRALDH1A1KIF11TK1DUT
SCHEMBL8036817 0.84 SMN1; SMN2 (0.38) TSHRALDH1A1TK1KDM4EMEN1
SCHEMBL2619884 0.84 SMN1; SMN2 (0.38) TSHRALDH1A1TK1KDM4EMEN1
SCHEMBL21764294 0.82 PTPN1 (0.38) ALDH1A1KIF11HTTALOX15MEN1
SCHEMBL11027048 0.82 PTPN1 (0.38) ALDH1A1KIF11HTTALOX15MEN1
SCHEMBL15818117 0.81 KIF11 (0.37) TSHRALDH1A1KIF11TK1DUT
SCHEMBL2619910 0.81 MEN1 (0.43) TSHRALDH1A1KIF11HTTTK1
SCHEMBL11027709 0.80 CES2 (0.35) KIF11DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190106434-A1 N-[3-[2-AMINO-5-(1,1-DIFLUOROETHYL)-4,4A,5,7-TETRAHYDROFURO[3,4-D][1,3]OXAZIN-7A-YL]-4-FLUORO-PHENYL-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE AND ITS (4AR,5S,7AS) ISOMER AS A SELECTIVE BACE1 INHIBITOR FOR TREATING E.G. ALZHEIMER'S DISEASE LILLY CO ELI (US) 2019-04-11 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 (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-20190106434-A1 N-[3-[2-AMINO-5-(1,1-DIFLUOROETHYL)-4,4A,5,7-TETRAHYDROFURO[3,4-D][1,3]OXAZIN-7A-YL]-4-FLUORO-PHENYL-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE AND ITS (4AR,5S,7AS) ISOMER AS A SELECTIVE BACE1 INHIBITOR FOR TREATING E.G. ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 TSHR 3865/4885ALDH1A1 138/4885KIF11 2534/4885

“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.