Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3342436

CC(C)CCNCc1ccc(-c2cccc(C(N)=O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.54
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR5A P47898 1/20 0.45
ADAMTS4 O75173 1/20 0.43
NR3C2 P08235 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.42
CSF1R P07333 1/20 0.42
FLT1 P17948 1/20 0.42
FLT3 P36888 1/20 0.42
CA2 P00918 1/20 0.41
PRKD1 Q15139 1/20 0.41

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
SCHEMBL1345547 0.92 HDAC1 (0.58) HDAC1OPRM1OPRD1OPRK1ADAMTS4
Trifluoroacetic Acid SCHEMBL3345691 0.89 HDAC1 (0.52) HDAC1DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL3337486 0.87 AKR1C3 (0.43) HDAC1DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL16194886 0.85 DPP4 (0.44) HDAC1DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL3341972 0.85 HTR5A (0.58) HDAC1OPRM1OPRD1OPRK1HTR5A
Trifluoroacetic Acid SCHEMBL3337473 0.82 HDAC1 (0.44) HDAC1DPP4DPP8DPP9DPP7
SCHEMBL12607892 0.81 HDAC1 (0.55) HDAC1OPRM1OPRD1OPRK1NPC1
Trifluoroacetic Acid SCHEMBL3340260 0.81 SRC (0.50) HDAC1DPP4OPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3343134 0.81 HTR5A (0.47) DPP4DPP8DPP9DPP7OPRM1
SCHEMBL13633142 0.80 OPRM1 (0.45) HDAC1DPP4OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 HDAC1 1478/4885DPP4 1431/4885DPP8 2313/4885

“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.