Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3338541

CC1(C)CCC(NCc2ccc(-c3cccc(C(N)=O)c3)c(F)c2F)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 3/20 0.38
DPP7 Q9UHL4 1/20 0.38
DGAT2 Q96PD7 2/20 0.37
SHMT1 P34896 1/20 0.36
PDK2 Q15119 1/20 0.36
SLC2A1 P11166 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL12651386 0.95 FAAH (0.45) FAAHOPRM1OPRD1OPRK1BMPR1B
Trifluoroacetic Acid SCHEMBL3340014 0.88 CTSC (0.44) FAAHOPRM1OPRD1OPRK1BMPR1B
Trifluoroacetic Acid SCHEMBL3341377 0.86 OPRM1 (0.45) FAAHOPRM1OPRD1OPRK1AKR1C3
Trifluoroacetic Acid SCHEMBL3337465 0.86 DPP4 (0.42) FAAHOPRM1OPRD1OPRK1DPP4
Trifluoroacetic Acid SCHEMBL3339667 0.86 DPP4 (0.42) FAAHOPRM1OPRD1OPRK1AKR1C3
Trifluoroacetic Acid SCHEMBL3339670 0.85 BMPR1B (0.37) OPRM1OPRD1OPRK1BMPR1BBMPR1A
Trifluoroacetic Acid SCHEMBL3346142 0.85 OPRM1 (0.45) FAAHOPRM1OPRD1OPRK1AKR1C3
Trifluoroacetic Acid SCHEMBL3340800 0.84 AKR1C3 (0.48) FAAHOPRM1OPRD1OPRK1AKR1C3
Trifluoroacetic Acid SCHEMBL3346083 0.84 OPRM1 (0.44) FAAHOPRM1OPRD1OPRK1AKR1C3
Trifluoroacetic Acid SCHEMBL3340025 0.84 OPRM1 (0.47) FAAHOPRM1OPRD1OPRK1DPP4

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 FAAH 166/4885OPRM1 4/4885OPRD1 2/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 FAAH 397/4885OPRM1 2/4885OPRD1 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.