SCHEMBL16664754

SCHEMBL16664754

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=NC2(CCS1)c1cc(Br)sc1CCC2Cc1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31

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
SCHEMBL16664735 0.74
SCHEMBL16663966 0.70 BACE1 (0.35) BACE1
SCHEMBL16664743 0.69
SCHEMBL16664726 0.67 ACHE (0.34) BACE1LTB4R2
SCHEMBL16664012 0.64 SIGMAR1 (0.32)
SCHEMBL10154566 0.64 BACE1 (0.41) BACE1
SCHEMBL4082804 0.64 BACE1 (0.41) BACE1
SCHEMBL16664002 0.62 USP30 (0.31) BACE1
SCHEMBL16663946 0.62 BACE1 (0.39) BACE1
SCHEMBL15606151 0.62 BACE1 (0.30) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233982-B2 Spiro tetrahydro—benzothiophen derivatives useful for the treatment neurodegenerative diseases ARES TRADING S.A. (CH) 2016-01-12 US disclosed
US-20150111882-A1 SPIRO TETRAHYDRO - BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT NEURODEGENERATIVE DISEASES ARES TRADING S.A. (CH) 2015-04-23 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-20150111882-A1 SPIRO TETRAHYDRO - BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT NEURODEGENERATIVE DISEASES PSEN1, PSEN2, BACE2 BACE1 4/4885LTB4R 3757/4885LTB4R2 3478/4885

“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.