Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3345276

CC1(C)CCC(NCc2cc(-c3cccc(C(N)=O)c3)cs2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.40
OPRK1 P41145 4/20 0.40
OPRD1 P41143 3/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CCR6 P51684 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
FAAH O00519 3/20 0.35
TRPA1 O75762 1/20 0.35
EPHX2 P34913 1/20 0.35
FAAH2 Q6GMR7 1/20 0.35
MGLL Q99685 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35
VEGFA P15692 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL12651152 0.93 OPRM1 (0.44) OPRM1OPRK1OPRD1JAK1JAK3
Trifluoroacetic Acid SCHEMBL3345080 0.90 OPRM1 (0.41) OPRM1OPRK1OPRD1DPP4DPP8
Trifluoroacetic Acid SCHEMBL3340025 0.86 OPRM1 (0.47) OPRM1OPRK1OPRD1DPP4DPP8
Trifluoroacetic Acid SCHEMBL3338278 0.85 OPRM1 (0.50) OPRM1OPRK1OPRD1DPP4DPP8
Trifluoroacetic Acid SCHEMBL16194723 0.83 DPP4 (0.42) OPRM1OPRK1OPRD1DPP4DPP8
Trifluoroacetic Acid SCHEMBL3337465 0.83 DPP4 (0.42) OPRM1OPRK1OPRD1DPP4DPP8
Trifluoroacetic Acid SCHEMBL3339667 0.83 DPP4 (0.42) OPRM1OPRK1OPRD1DPP4DPP8
Trifluoroacetic Acid SCHEMBL3340014 0.83 CTSC (0.44) OPRM1OPRK1OPRD1DPP4DPP8
SCHEMBL12651056 0.82 OPRM1 (0.46) OPRM1OPRK1OPRD1CDK2
Trifluoroacetic Acid SCHEMBL3345294 0.82 CCR6 (0.43) OPRM1OPRK1OPRD1DPP4DPP8

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 OPRM1 4/4885OPRK1 3/4885OPRD1 2/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRK1 3/4885OPRD1 4/4885

“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.