Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1239673

COc1cc(/C=C/C(=O)NCc2ccccc2Cc2ccccc2)ccc1-n1ccnc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.43
POLB P06746 2/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MAPT P10636 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
PKM P14618 1/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
APP P05067 1/20 0.40
ALOX5 P09917 1/20 0.40
THRB P10828 1/20 0.40

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 SCHEMBL1239677 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDPOLBDRD2
SCHEMBL12712438 0.95 KDM4E (0.48) KDM4EALDH1A1HPGDPOLBDRD2
Trifluoroacetic Acid SCHEMBL1238713 0.88 ALDH1A1 (0.47) KDM4EALDH1A1HPGDPOLBMAPT
Trifluoroacetic Acid SCHEMBL1238716 0.88 ALDH1A1 (0.47) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL14870573 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL14870579 0.86 POLB (0.52) KDM4EALDH1A1HPGDPOLBDRD2
SCHEMBL14870580 0.86 ALDH1A1 (0.52) KDM4EALDH1A1HPGDPOLBDRD2
SCHEMBL1239838 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDPOLBDRD2
SCHEMBL2823209 0.82 ALDH1A1 (0.51) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL2823206 0.82 ALDH1A1 (0.51) KDM4EALDH1A1HPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7667041-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 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 (4 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-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C KDM4E 3639/4885ALDH1A1 149/4885HPGD 3382/4885
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 KDM4E 2327/4885ALDH1A1 451/4885HPGD 3356/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 KDM4E 4007/4885ALDH1A1 58/4885HPGD 3921/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 KDM4E 3210/4885ALDH1A1 1375/4885HPGD 4419/4885

“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.