Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4242083

COc1cccc(-c2cccc(CCc3cnc(N)[nH]c3=O)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.52
DHODH Q02127 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
NR3C2 P08235 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
SCHEMBL8239236 0.91 BACE1 (0.53) BACE1DHODHKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4245228 0.82 BACE1 (0.56) BACE1SLC13A5CMA1CTRCFFAR1
Trifluoroacetic Acid SCHEMBL4245210 0.81 AOC3 (0.44) BACE1
SCHEMBL7716692 0.73 QTRT1 (0.52) DHODH
Trifluoroacetic Acid SCHEMBL4242602 0.73 BACE1 (0.55) BACE1ALDH1A1SLC13A5CMA1CTRC
Trifluoroacetic Acid SCHEMBL4250441 0.72 BACE1 (0.57) BACE1SLC13A5CMA1CTRCGRM2
SCHEMBL8237842 0.72 BACE1 (0.62) BACE1
SCHEMBL4245709 0.71 AOC3 (0.54) BACE1
Trifluoroacetic Acid SCHEMBL4228583 0.70 BACE1 (0.74) BACE1
Trifluoroacetic Acid SCHEMBL4997227 0.69 BACE1 (0.57) BACE1SLC13A5GRM2GRM3

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
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
EP-1951680-A1 NOVEL 2-AMINOPYRIMIDINONE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 EP disclosed
WO-2007058580-A1 NOVEL 2-AMINOPYRIMIDINONE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO 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 9/4885DHODH 1470/4885KDM4E 2116/4885
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT BACE1 9/4885DHODH 1470/4885KDM4E 2116/4885

“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.