Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4843551

COCCN1CCN(CC(O)COc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 3/20 0.39
MAPT P10636 2/20 0.38
BRD4 O60885 1/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHEK2 O96017 1/20 0.37
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4835006 0.93 KDM4E (0.44) ALDH1A1KDM4EGLABRD4USP2
Trifluoroacetic Acid SCHEMBL4844160 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EGLAMAPTSCN1A
Trifluoroacetic Acid SCHEMBL4840800 0.91 CHEK2 (0.45) CHEK2TBK1
Trifluoroacetic Acid SCHEMBL4841832 0.90 NPSR1 (0.39) ALDH1A1KDM4EMAPTSCN1ASCN5A
Trifluoroacetic Acid SCHEMBL4842213 0.89 POLB (0.48) KDM4EGLAMAPTCYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL4844675 0.87 HTR7 (0.49) ALDH1A1MAPTCACNA1GKCNH2LMNA
Trifluoroacetic Acid SCHEMBL4839418 0.87 SCN1A (0.42) SCN1ASCN5ASCN9AUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4844696 0.86 CACNA1G (0.56) KDM4EMAPTCACNA1GKCNH2LMNA
Trifluoroacetic Acid SCHEMBL4842369 0.86 SCN1A (0.41) SCN1ASCN5ASCN9ACHEK2
Trifluoroacetic Acid SCHEMBL4841950 0.85 SCN1A (0.44) SCN1ASCN5ASCN9A

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 ALDH1A1 1489/4885KDM4E 2903/4885GLA 3284/4885

“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.