Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4250441

COc1cccc(-c2cccc(CCc3nc(N)n(C)c(=O)c3C)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.57
LTB4R Q15722 1/20 0.44
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
SLC13A5 Q86YT5 1/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
AVPR1B P47901 2/20 0.40

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
SCHEMBL8231287 0.92 BACE1 (0.67) BACE1LTB4R
Trifluoroacetic Acid SCHEMBL4242602 0.89 BACE1 (0.55) BACE1LTB4RCMA1CTRCSLC13A5
Trifluoroacetic Acid SCHEMBL4243869 0.85 BACE1 (0.42) BACE1CMA1CTRC
Trifluoroacetic Acid SCHEMBL4248393 0.83 BACE1 (0.53) BACE1
Trifluoroacetic Acid SCHEMBL4245228 0.83 BACE1 (0.56) BACE1CMA1CTRCSLC13A5GRM2
SCHEMBL8239238 0.82 BACE1 (0.62) BACE1LTB4R
Trifluoroacetic Acid SCHEMBL4242063 0.75 KMT2A (0.49) BACE1LTB4RCMA1CTRC
Trifluoroacetic Acid SCHEMBL4247341 0.75 BACE1 (0.48) BACE1CMA1CTRCAVPR1B
SCHEMBL8231282 0.75 BACE1 (0.46) BACE1
Trifluoroacetic Acid SCHEMBL4245400 0.74 BACE1 (0.51) BACE1CMA1CTRCAVPR1B

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
US-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB, SODERTAIJE, SWEDENASTEX THEREAPEUTICS LTD (GB) 2009-08-27 US claimed
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB (SE) 2008-10-16 US claimed
EP-1951680-A1 NOVEL 2-AMINOPYRIMIDINONE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 EP claimed
WO-2007058580-A1 NOVEL 2-AMINOPYRIMIDINONE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO claimed
US-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB, SODERTAIJE, SWEDENASTEX THEREAPEUTICS LTD (GB) 2009-08-27 US disclosed
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB (SE) 2008-10-16 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 (2 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-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT BACE1 9/4885LTB4R 3309/4885CMA1 4445/4885
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT BACE1 9/4885LTB4R 3309/4885CMA1 4445/4885

“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.