SCHEMBL5981452

SCHEMBL5981452

CC(C)(C)OC(=O)C(N)Cc1cc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CLPP Q16740 1/20 0.35
SLC7A5 Q01650 1/20 0.34
DPP4 P27487 4/20 0.33
PRSS1 P07477 3/20 0.33
ACR P10323 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
LTA4H P09960 1/20 0.33
RXRA P19793 4/20 0.33
NR1H2 P55055 4/20 0.33
NR1H3 Q13133 3/20 0.33
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL5981513 0.96 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5981678 0.86 CLPP (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL5981710 0.83 PPARG (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5981368 0.81 AAK1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5981601 0.80 MTNR1B (0.44) LTA4H
SCHEMBL5981456 0.78 NQO2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5981098 0.77 NOTUM (0.40) CLPPPRSS1ACRRHOCRHOA
Trifluoroacetic Acid SCHEMBL5981519 0.75 RHOC (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5980353 0.72 NOTUM (0.42) CLPPPRSS1ACRRXRARHOC
SCHEMBL5981683 0.72 TTR (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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-7115766-B2 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORP. (US) 2006-10-03 US disclosed
US-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 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-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds SNCA, PARK7, SAMHD1 PSEN1 461/4885PSEN2 269/4885APH1B 1773/4885

“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.