Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3345140

NC(=O)c1cccc(-c2ccc(CNC3Cc4ccccc4C3)c(Cl)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.53
OPRD1 P41143 7/20 0.53
OPRK1 P41145 7/20 0.53
SLC2A1 P11166 3/20 0.45
PRMT5 O14744 2/20 0.44
HDAC1 Q13547 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
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR5A P47898 1/20 0.38
PDK2 Q15119 1/20 0.38
FFAR2 O15552 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 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
SCHEMBL12651388 0.93 OPRM1 (0.59) OPRM1OPRD1OPRK1PRMT5HDAC1
Trifluoroacetic Acid SCHEMBL3339839 0.89 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC2A1PRMT5
Trifluoroacetic Acid SCHEMBL1790201 0.86 SLC2A1 (0.58) OPRM1OPRD1OPRK1SLC2A1PRMT5
SCHEMBL12651163 0.84 OPRM1 (0.60) OPRM1OPRD1OPRK1SLC2A1PRMT5
SCHEMBL12651471 0.83 OPRM1 (0.58) OPRM1OPRD1OPRK1PRMT5HDAC1
Trifluoroacetic Acid SCHEMBL3339102 0.82 HDAC1 (0.52) OPRM1OPRD1OPRK1SLC2A1PRMT5
Hydrochloric Acid SCHEMBL3342684 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1PRMT5HDAC1
Trifluoroacetic Acid SCHEMBL3345226 0.79 GRIN2B (0.50) OPRM1OPRD1OPRK1SLC2A1PRMT5
Trifluoroacetic Acid SCHEMBL3342665 0.78 SLC2A1 (0.50) OPRM1OPRD1OPRK1SLC2A1PRMT5
Trifluoroacetic Acid SCHEMBL3345474 0.78 SLC2A1 (0.46) OPRM1OPRD1OPRK1SLC2A1PRMT5

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

“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.