Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4242602

COc1cccc(-c2cccc(CCc3nc(N)n(C)c(=O)c3Cc3ccccc3)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.55
LTB4R Q15722 1/20 0.49
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
PTPN11 Q06124 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39

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
SCHEMBL8239238 0.94 BACE1 (0.62) BACE1LTB4RMEN1USP2ALDH1A1
Trifluoroacetic Acid SCHEMBL4250441 0.89 BACE1 (0.57) BACE1LTB4RCMA1CTRCSLC13A5
Trifluoroacetic Acid SCHEMBL4247367 0.83 BACE1 (0.51) BACE1LTB4RMEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL4245228 0.81 BACE1 (0.56) BACE1CMA1CTRCSLC13A5GRM2
SCHEMBL8231287 0.80 BACE1 (0.67) BACE1LTB4RMEN1USP2ALDH1A1
SCHEMBL13743980 0.77 MEN1 (0.57) BACE1LTB4RMEN1USP2ALDH1A1
SCHEMBL8236990 0.76 BACE1 (0.58) BACE1LTB4RMEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL4242063 0.76 KMT2A (0.49) BACE1LTB4RCMA1CTRCPTPN11
Trifluoroacetic Acid SCHEMBL4243869 0.74 BACE1 (0.42) BACE1CMA1CTRCMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4247341 0.73 BACE1 (0.48) BACE1CMA1CTRC

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.