Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1546482

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
SIGMAR1 Q99720 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 3/20 0.38
USP2 O75604 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CALCRL Q16602 2/20 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
Trifluoroacetic Acid SCHEMBL1546542 0.81 L3MBTL3 (0.39) PKMSMN1; SMN2L3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL4071422 0.79 HTR6 (0.43) SIGMAR1PKMSMN1; SMN2L3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL1018462 0.79 HTR6 (0.43) SIGMAR1PKMSMN1; SMN2L3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL5618525 0.79 HPGD (0.45) PKMSMN1; SMN2L3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL3963270 0.78 HTR6 (0.43) SIGMAR1L3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL29823097 0.77 HPGD (0.40) PKMSMN1; SMN2CYP3A4L3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL22587649 0.76 ALDH1A1 (0.46) PKMSMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL787533 0.75 CYP1A2 (0.69) CYP1A2PKMSMN1; SMN2CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL15709524 0.74 CYP1A2 (0.67) CYP1A2PKMSMN1; SMN2CYP2C9CYP3A4
SCHEMBL12156219 0.72 L3MBTL3 (0.51) CYP1A2SIGMAR1PKMSMN1; SMN2TP53

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 CYP1A2 484/4885SIGMAR1 1615/4885PKM 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.