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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1542629

O=C(O)C(F)(F)F.[O-][N+]12CCC(CC1)[C@@H](Oc1ccc(-c3ccc4[nH]ccc4c3)nn1)C2

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 9/20 0.55
▸ CHRNB2 P17787 5/20 0.41
▸ CHRNA4 P43681 5/20 0.41
▸ CHRNB4 P30926 4/20 0.41
▸ CHRNA3 P32297 4/20 0.41
▸ CHRNA10 Q9GZZ6 1/20 0.37
▸ CHRNA9 Q9UGM1 1/20 0.37
▸ KCNH2 Q12809 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ VCP P55072 1/20 0.34
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ ACACB O00763 2/20 0.32
▸ ACACA Q13085 2/20 0.32
▸ MAP3K8 P41279 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
SCHEMBL1542542 0.91 CHRNA7 (0.64) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1542537 0.91 CHRNA7 (0.64) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL3187879 0.77 CHRNA7 (0.72) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL744964 0.77 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL745269 0.75 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Abt-107 SCHEMBL1542457 0.72 CHRNA7 (0.83) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Abt-107 SCHEMBL1542455 0.72 CHRNA7 (0.83) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Abt-107 SCHEMBL1542724 0.72 CHRNA7 (0.83) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Abt-107 SCHEMBL1542729 0.72 CHRNA7 (0.83) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Abt-107 SCHEMBL1542458 0.72 CHRNA7 (0.83) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308875-A1 Fused bicycloheterocycle substituted quinuclidine derivatives as .alpha.7 nAChR modulators Abbott Laboratories (US) 2011-04-13 — — EP disclosed
US-7655657-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-02-02 — — US disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 — — US disclosed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 — — US disclosed
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators ABBOTT LABORATORIES 2005-11-03 — — US disclosed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 — — 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 (4 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-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885CHRNB2 12/4885CHRNA4 10/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C CHRNA7 144/4885CHRNB2 210/4885CHRNA4 414/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885CHRNB2 12/4885CHRNA4 10/4885
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators CHRNA7, CHRNA6, CHRNA10 CHRNA7 1/4885CHRNB2 6/4885CHRNA4 10/4885

“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.