Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1546542

CC(=O)N1CCC(N2CCNCC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL20808277 0.89 L3MBTL3 (0.45) L3MBTL3L3MBTL1ALDH1A1KDM4ECHRNB2
SCHEMBL26496895 0.87 L3MBTL3 (0.44) L3MBTL3L3MBTL1CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL5618525 0.85 HPGD (0.45) L3MBTL3L3MBTL1PKMALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL29823097 0.84 HPGD (0.40) L3MBTL3L3MBTL1PKMCHRNB2CHRNA3
Trifluoroacetic Acid SCHEMBL7814309 0.84 PKM (0.49) L3MBTL1PKMKDM4ECHRNB2CHRNA3
SCHEMBL26496894 0.83 L3MBTL3 (0.41) L3MBTL3L3MBTL1CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL1018462 0.82 HTR6 (0.43) L3MBTL3L3MBTL1PKMALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL4071422 0.82 HTR6 (0.43) L3MBTL3L3MBTL1PKMALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL3963270 0.81 HTR6 (0.43) L3MBTL3L3MBTL1ALDH1A1KDM4EKMT2A
Trifluoroacetic Acid SCHEMBL1546482 0.81 CYP1A2 (0.50) L3MBTL3L3MBTL1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960368-B1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2015-05-06 EP disclosed
EP-2311814-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2011-04-20 EP disclosed
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
EP-2130822-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2009-12-09 EP disclosed
EP-1960368-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines DING QINGJIE 2007-06-07 US disclosed
WO-2007063013-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO 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-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 L3MBTL3 1943/4885L3MBTL1 2569/4885PKM 2619/4885

“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.