Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3150804

CC(C(=O)O)c1ccccc1OC[C@@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.65
LMNA P02545 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MITF O75030 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ADRB2 P07550 3/20 0.52
ADRB1 P08588 3/20 0.52
ADRB3 P13945 3/20 0.52
SIGMAR1 Q99720 2/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
HRH1 P35367 3/20 0.44
CCR3 P51677 3/20 0.44

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
SCHEMBL3145179 0.95 ABCB11 (0.71) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL3145189 0.95 ABCB11 (0.71) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL3048642 0.87 ABCB11 (0.62) ABCB11LMNAMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL3810397 0.85 ABCB11 (0.89) ABCB11LMNAMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL3142036 0.85 ABCB11 (0.65) ABCB11LMNAMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL3134751 0.83 ABCB11 (0.62) ABCB11LMNAMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL1950889 0.81 ABCB11 (0.59) ABCB11LMNAMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL3145177 0.80 ABCB11 (0.57) ABCB11LMNAMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL3155085 0.80 ABCB11 (0.58) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL3140521 0.80 ABCB11 (0.70) ABCB11LMNAMEN1KMT2AKDM4E

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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 ABCB11 477/4885LMNA 3377/4885MEN1 4733/4885

“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.