Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339828

CC1(C)CCC(N2CCc3cc(-c4cccc(-c5ncc[nH]5)c4)ccc3C2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
MAP4K1 Q92918 1/20 0.42
DPP4 P27487 4/20 0.37
DPP7 Q9UHL4 4/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KCNH2 Q12809 2/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MAP3K14 Q99558 1/20 0.33
ADRA1A P35348 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR3 P51677 1/20 0.32

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
SCHEMBL12607837 0.91 MCHR1 (0.45) MCHR1MAP4K1PRMT5WDR77HCRTR1
Trifluoroacetic Acid SCHEMBL3042254 0.81 MAP4K1 (0.42) MCHR1MAP4K1ADRA1A
SCHEMBL3339830 0.79 MCHR1 (0.42) MCHR1MAP4K1DPP4DPP7PRMT5
SCHEMBL1786382 0.76 MAP4K1 (0.44) MAP4K1DPP4PRMT5WDR77DPP8
Trifluoroacetic Acid SCHEMBL3342708 0.76 PARP1 (0.36) MAP4K1HRH3USP30
Trifluoroacetic Acid SCHEMBL3339970 0.76 PARP1 (0.36) MAP4K1
Hydrochloric Acid SCHEMBL3340501 0.76 MAP4K1 (0.44) MAP4K1DPP4PRMT5WDR77DPP8
Trifluoroacetic Acid SCHEMBL3343257 0.75 MAP4K1 (0.46) MCHR1MAP4K1DPP4DPP7DPP9
Trifluoroacetic Acid SCHEMBL3340019 0.74 SLC2A1 (0.41) DPP4DPP7HCRTR1CCR3
Trifluoroacetic Acid SCHEMBL3339550 0.74 DPP4 (0.42) MAP4K1DPP4DPP7PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 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 (2 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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 MCHR1 133/4885MAP4K1 2850/4885DPP4 1431/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 MCHR1 83/4885MAP4K1 1472/4885DPP4 1228/4885

“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.