Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5007666

NC1=NC(c2cccc(Br)c2)(C(F)(F)F)Cc2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.36
KDM1A O60341 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
ORAI1 Q96D31 1/20 0.34
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
CTSD P07339 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL8234440 0.92 UTS2R (0.38) BACE1UTS2RCTSDGAAMAPT
Trifluoroacetic Acid SCHEMBL5001884 0.89 MEN1 (0.36) BACE1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5001889 0.87 PARP1 (0.37) BACE1KDM1AORAI1CTSDGAA
Trifluoroacetic Acid SCHEMBL5007677 0.87 UTS2R (0.37) BACE1KDM1AUTS2RORAI1KCNJ6
Trifluoroacetic Acid SCHEMBL5001625 0.82 BACE1 (0.35) BACE1KDM1AORAI1CTSD
SCHEMBL5002065 0.82 PARP1 (0.40) BACE1CTSD
Trifluoroacetic Acid SCHEMBL5001600 0.81 BACE1 (0.46) BACE1
SCHEMBL14010655 0.81 NOS3 (0.38) BACE1GAAMAPTSMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5001603 0.79 BACE1 (0.36) BACE1KDM1ACTSD
SCHEMBL5026581 0.78 MAPT (0.34) BACE1UTS2RORAI1KCNJ6KCNJ5

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
CN-101360714-A Novel 2-amino-heterocycles useful in the treatment of abeta-related pathologies ASTRAZENECA AB (SE) 2009-02-04 CN claimed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US claimed
CN-101360714-A Novel 2-amino-heterocycles useful in the treatment of abeta-related pathologies ASTRAZENECA AB (SE) 2009-02-04 CN disclosed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1957462-A2 NOVEL 2-AMINO-HETEROCYCLES UDEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES Astra Zeneca AB (SE) 2008-08-20 EP disclosed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES 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 (1 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-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies PSEN2, APP, PSEN1 BACE1 4/4885KDM1A 3884/4885UTS2R 1765/4885

“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.