SCHEMBL16650372

SCHEMBL16650372

N#Cc1cccc(-c2cc3c(s2)CCC[C@@]32CCSC(N)=N2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.48
CTSB P07858 1/20 0.38
ADORA2A P29274 1/20 0.36
BACE2 Q9Y5Z0 2/20 0.36

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
SCHEMBL15606004 1.00 BACE1 (0.48) BACE1CTSBADORA2ABACE2
SCHEMBL15606030 1.00 BACE1 (0.48) BACE1CTSBADORA2ABACE2
SCHEMBL15606037 0.86 BACE1 (0.42) BACE1BACE2
SCHEMBL15606040 0.85 BACE1 (0.38) BACE1ADORA2ABACE2
SCHEMBL15606089 0.85 BACE1 (0.43) BACE1BACE2
SCHEMBL15606095 0.85 BACE1 (0.35) BACE1BACE2
SCHEMBL15606081 0.85 BACE1 (0.36) BACE1BACE2
SCHEMBL15606088 0.85 BACE1 (0.35) BACE1
SCHEMBL15606013 0.84 BACE1 (0.48) BACE1ADORA2ABACE2
SCHEMBL15606024 0.83 BACE1 (0.32) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855486-B1 SPIRO TETRAHYDRO-BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARES TRADING SA (CH) 2016-04-06 EP disclosed
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 4/4885CTSB 362/4885ADORA2A 4013/4885

“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.