Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4843969

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OC(COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1)CN1CCN(c2cnccn2)CC1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.42
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
SLC2A1 P11166 1/20 0.37
ABCB1 P08183 4/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA1G O43497 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
SCHEMBL4838091 0.93 NPSR1 (0.49) NPSR1HSD17B10KDM4EUSP2MAPK1
Trifluoroacetic Acid SCHEMBL5258064 0.91 KDM4E (0.55) NPSR1HSD17B10KDM4EUSP2MAPK1
Trifluoroacetic Acid SCHEMBL4844675 0.88 HTR7 (0.49) HSD17B10MAPK1MAPTHTR7ABCB1
Trifluoroacetic Acid SCHEMBL4844003 0.88 HRH3 (0.47) HRH3SLC2A1DRD4
Trifluoroacetic Acid SCHEMBL4841832 0.88 NPSR1 (0.39) NPSR1HSD17B10KDM4EUSP2MAPK1
Trifluoroacetic Acid SCHEMBL4842199 0.87 KMT2A (0.44) NPSR1HSD17B10KDM4EUSP2MAPK1
Trifluoroacetic Acid SCHEMBL4844160 0.87 ALDH1A1 (0.49) NPSR1KDM4EUSP2HTTMAPT
Trifluoroacetic Acid SCHEMBL4842213 0.86 POLB (0.48) NPSR1HSD17B10KDM4EUSP2MAPK1
Trifluoroacetic Acid SCHEMBL4839418 0.85 SCN1A (0.42) NPSR1USP2DRD4SMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL4843551 0.85 ALDH1A1 (0.40) NPSR1KDM4EUSP2MAPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 NPSR1 1799/4885HSD17B10 2866/4885KDM4E 2903/4885

“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.