SCHEMBL13533306

SCHEMBL13533306

C[C@@H]1C[C@@](C)(c2cc(Br)c(F)cc2F)N=C(NC(=O)OC(C)(C)C)S1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.40
BACE2 Q9Y5Z0 5/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
AAK1 Q2M2I8 1/20 0.34
CTSD P07339 1/20 0.32
BRAF P15056 1/20 0.31
IDH1 O75874 2/20 0.31
LCK P06239 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
SCHEMBL3188761 0.86 BACE1 (0.42) BACE1BACE2CYP2D6KCNH2
SCHEMBL3187951 0.85 BRAF (0.34) BACE1BACE2CYP2D6KCNH2AAK1
SCHEMBL15839603 0.83 BACE1 (0.49) BACE1KCNH2
SCHEMBL3191096 0.82 BACE1 (0.40) BACE1BACE2CYP2D6KCNH2CTSD
SCHEMBL3191088 0.82 BACE1 (0.40) BACE1BACE2CYP2D6KCNH2CTSD
SCHEMBL1420827 0.78 BACE1 (0.35) BACE1AAK1BRAFIDH1LCK
SCHEMBL13533305 0.77 HCRTR1 (0.38) BACE1AAK1CTSDLCK
SCHEMBL1422427 0.75 BACE1 (0.57) BACE1BACE2CYP2D6KCNH2CTSD
SCHEMBL1421185 0.74 AAK1 (0.35) BACE1AAK1BRAFLCK
SCHEMBL15839655 0.72 BACE1 (0.47) BACE1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 EP disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 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-20090275566-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CYP2D6 1272/4885

“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.