SCHEMBL6328828

SCHEMBL6328828

COC(=O)[C@]1(C)CSC(Cc2cc(F)cc(F)c2)=N1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.32
NTRK1 P04629 3/20 0.32
SCD O00767 1/20 0.31
BACE1 P56817 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
DYRK1A Q13627 1/20 0.30
CTSD P07339 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL27529133 0.89 KDM4E (0.32) BACE1
SCHEMBL6320079 0.85 DGAT1 (0.32) DGAT1NTRK1
SCHEMBL6323641 0.77 MEN1 (0.39) MEN1KMT2A
SCHEMBL27510954 0.74 PIN1 (0.35)
SCHEMBL5494622 0.69 ALDH1A1 (0.36) MEN1KMT2A
SCHEMBL6328574 0.62 NTRK1 (0.38) NTRK1MEN1KMT2A
SCHEMBL15827285 0.62 HDAC1 (0.40) MEN1
SCHEMBL6327074 0.61 DGAT1 (0.35) DGAT1NTRK1
SCHEMBL16744497 0.61
SCHEMBL23150258 0.59 METAP2 (0.48) KMT2AP2RX7

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-6849650-B2 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-02-01 US disclosed
US-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THORSETT EUGENE D (US) 2003-07-10 US disclosed
US-6506782-B1 Compounds which inhibit beta -amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits beta ATHENA NEUROSCIENCES, INC. 2003-01-14 US disclosed
EP-0968198-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING $g(b)-AMYLOID PEPTIDE Elan Pharmaceuticals, Inc. (US) 2000-01-05 EP disclosed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 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-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, BACE1, IAPP DGAT1 3390/4885NTRK1 4770/4885SCD 1312/4885

“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.