Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4844409

Brc1cnc2[nH]c(-c3ccc(OCCNC4CCCC4)cc3)nc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 8/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
CHEK2 O96017 2/20 0.39
TBK1 Q9UHD2 2/20 0.38
AURKB Q96GD4 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 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
Trifluoroacetic Acid SCHEMBL4843340 0.93 CHEK2 (0.40) ALDH1A1KDM4EKMT2AMEN1CHEK2
SCHEMBL4844677 0.92 KDM4E (0.47) ALDH1A1KDM4EKMT2AMEN1TDP1
Trifluoroacetic Acid SCHEMBL4837609 0.90 TRPV3 (0.39) ALDH1A1CHEK2TBK1AURKBHDAC3
Trifluoroacetic Acid SCHEMBL4840418 0.88 TBK1 (0.39) ALDH1A1KDM4EKMT2AMEN1TDP1
Trifluoroacetic Acid SCHEMBL4839422 0.87 KDM4E (0.43) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5260412 0.86 CHEK2 (0.41) ALDH1A1KDM4ECHEK2TBK1HDAC3
SCHEMBL4834728 0.85 CHEK2 (0.40) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL4834809 0.84 KMT2A (0.44) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4842116 0.83 CHEK2 (0.53) CHEK2TBK1AURKB
Trifluoroacetic Acid SCHEMBL4837229 0.83 KDM4E (0.40) ALDH1A1KDM4EKMT2AMEN1TBK1

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 2903/4885KMT2A 2697/4885

“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.