Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4247341

COc1cccc(-c2cccc(CC3CCCc4c3nc(N)n(C)c4=O)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.48
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CCR2 P41597 1/20 0.37
AVPR1B P47901 3/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37
GPR6 P46095 1/20 0.36
RAD52 P43351 1/20 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
SCHEMBL4962113 0.93 BACE1 (0.51) BACE1HRH2HRH3CCR2
Trifluoroacetic Acid SCHEMBL4246805 0.85 BACE1 (0.40) BACE1HRH2HRH3CCR2
Trifluoroacetic Acid SCHEMBL4245400 0.79 BACE1 (0.51) BACE1AVPR1BCMA1CTRCGPR6
SCHEMBL4247361 0.76 BACE1 (0.46) BACE1HRH2HRH3CCR2
Trifluoroacetic Acid SCHEMBL4250441 0.75 BACE1 (0.57) BACE1AVPR1BCMA1CTRC
Trifluoroacetic Acid SCHEMBL4242602 0.73 BACE1 (0.55) BACE1CMA1CTRC
Trifluoroacetic Acid SCHEMBL4245228 0.72 BACE1 (0.56) BACE1CMA1CTRC
SCHEMBL8237695 0.70 BACE1 (0.50) BACE1HRH2HRH3
SCHEMBL4247343 0.69 BACE1 (0.39) BACE1
SCHEMBL8239238 0.66 BACE1 (0.62) 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 4 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
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 9/4885HRH2 1709/4885HRH3 2038/4885
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT BACE1 9/4885HRH2 1709/4885HRH3 2038/4885

“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.