Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5001889

NC(=O)c1ccc2c(c1)CC(c1cccc(Br)c1)(C(F)(F)F)N=C2N.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
BACE1 P56817 3/20 0.35
PDK2 Q15119 4/20 0.35
KDM1A O60341 1/20 0.33
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
CSNK2A1 P68400 1/20 0.31
HIPK2 Q9H2X6 1/20 0.31
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
CTSD P07339 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP14 Q460N5 1/20 0.30
PARP10 Q53GL7 1/20 0.30
ORAI1 Q96D31 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5002065 0.96 PARP1 (0.40) PARP1BACE1PDK2SRD5A1SRD5A2
Trifluoroacetic Acid SCHEMBL5007666 0.87 BACE1 (0.36) BACE1KDM1ACTSDORAI1GAA
Trifluoroacetic Acid SCHEMBL5001495 0.83 BACE1 (0.44) BACE1
Trifluoroacetic Acid SCHEMBL5001579 0.83 SRD5A2 (0.39) BACE1PDK2SRD5A1SRD5A2ALDH1A1
SCHEMBL5095506 0.79 SRD5A2 (0.41) PDK2SRD5A1SRD5A2ALDH1A1
SCHEMBL8234440 0.79 UTS2R (0.38) BACE1PDK2CTSDALDH1A1GAA
SCHEMBL8240965 0.79 CHEK2 (0.47) PARP1BACE1
Trifluoroacetic Acid SCHEMBL5001625 0.78 BACE1 (0.35) BACE1KDM1ACTSDORAI1
SCHEMBL5001690 0.78 BACE1 (0.38) BACE1PDK2CTSDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5001534 0.77 BACE1 (0.43) 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-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US claimed
EP-1957462-A2 NOVEL 2-AMINO-HETEROCYCLES UDEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES Astra Zeneca AB (SE) 2008-08-20 EP claimed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-05-24 WO claimed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 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 (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 PARP1 3380/4885BACE1 4/4885PDK2 2218/4885

“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.