Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4837609

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O[C@H]1CCCC[C@H]1NCCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.39
CHEK2 O96017 6/20 0.37
AURKB Q96GD4 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 5/20 0.35
HDAC4 P56524 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC7 Q8WUI4 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC9 Q9UKV0 5/20 0.35
HDAC5 Q9UQL6 5/20 0.35
HTR1A P08908 2/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL4837690 0.93 HTR1A (0.39) TRPV3CHEK2AURKBTBK1HDAC3
SCHEMBL4838842 0.93 HTR1A (0.39) TRPV3CHEK2AURKBTBK1HDAC3
Trifluoroacetic Acid SCHEMBL4844409 0.90 ALDH1A1 (0.46) CHEK2AURKBTBK1ALDH1A1HDAC3
Trifluoroacetic Acid SCHEMBL4843340 0.87 CHEK2 (0.40) CHEK2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4844677 0.81 KDM4E (0.47) CHEK2AURKBTBK1ALDH1A1
Trifluoroacetic Acid SCHEMBL4846269 0.81 CHEK2 (0.44) CHEK2AURKBTBK1
Trifluoroacetic Acid SCHEMBL4840418 0.81 TBK1 (0.39) CHEK2AURKBTBK1ALDH1A1
Trifluoroacetic Acid SCHEMBL4842116 0.80 CHEK2 (0.53) CHEK2AURKBTBK1DHODH
Trifluoroacetic Acid SCHEMBL4837229 0.80 KDM4E (0.40) AURKBTBK1ALDH1A1HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL4843958 0.80 CHEK2 (0.44) CHEK2AURKBTBK1ALDH1A1DHODH

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 TRPV3 1371/4885CHEK2 309/4885AURKB 438/4885

“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.