Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339836

CC1(C)CCC(NCCc2cccc(-c3cccc(C(N)=O)c3)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
BACE1 P56817 2/20 0.41
OPRM1 P35372 9/20 0.40
OPRD1 P41143 8/20 0.40
OPRK1 P41145 1/20 0.40
CCR2 P41597 1/20 0.40
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
FAAH O00519 2/20 0.38
SHMT1 P34896 1/20 0.38
OPRL1 P41146 1/20 0.38

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 SCHEMBL3341720 0.93 DPP4 (0.44) MEN1KMT2ADPP4DPP8DPP9
SCHEMBL1790205 0.93 OPRM1 (0.43) MEN1KMT2AOPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3340025 0.90 OPRM1 (0.47) DPP4DPP8DPP9DPP7OPRM1
SCHEMBL12607786 0.86 OPRM1 (0.45) MEN1KMT2AOPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3338278 0.85 OPRM1 (0.50) MEN1KMT2ADPP4DPP8DPP9
Trifluoroacetic Acid SCHEMBL3345285 0.83 OPRM1 (0.46) DPP4DPP8DPP9DPP7BACE1
Trifluoroacetic Acid SCHEMBL3345226 0.83 GRIN2B (0.50) DPP4DPP8DPP9DPP7BACE1
SCHEMBL1788728 0.82 OPRM1 (0.52) OPRM1OPRD1OPRK1FAAH
Trifluoroacetic Acid SCHEMBL16194723 0.82 DPP4 (0.42) DPP4DPP8DPP9DPP7OPRM1
Trifluoroacetic Acid SCHEMBL3339667 0.81 DPP4 (0.42) DPP4DPP8DPP9DPP7OPRM1

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 MEN1 4375/4885KMT2A 2191/4885DPP4 1431/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 MEN1 4865/4885KMT2A 3867/4885DPP4 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.