Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3340503

CC1(C)CCC(NCc2ccc(-c3cncc(C(N)=O)c3)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
DGAT1 O75907 1/20 0.44
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
HDAC1 Q13547 4/20 0.41
KDM1A O60341 2/20 0.41
SLC2A1 P11166 2/20 0.38
HTR5A P47898 1/20 0.38
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
CYP11B2 P19099 2/20 0.37
CYP11B1 P15538 1/20 0.37
MAP4K4 O95819 1/20 0.37
CCR2 P41597 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 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
SCHEMBL12651266 0.93 OPRM1 (0.52) OPRM1OPRD1OPRK1DGAT1MKNK1
Trifluoroacetic Acid SCHEMBL3341349 0.88 OPRM1 (0.52) OPRM1OPRD1OPRK1HDAC1KDM1A
Trifluoroacetic Acid SCHEMBL3338278 0.87 OPRM1 (0.50) OPRM1OPRD1OPRK1HDAC1KDM1A
Trifluoroacetic Acid SCHEMBL3342868 0.86 OPRM1 (0.47) OPRM1OPRD1OPRK1HDAC1SLC2A1
Trifluoroacetic Acid SCHEMBL3342349 0.86 OPRM1 (0.47) OPRM1OPRD1OPRK1HDAC1SLC2A1
Trifluoroacetic Acid SCHEMBL3339936 0.85 OPRM1 (0.47) OPRM1OPRD1OPRK1HDAC1SLC2A1
Trifluoroacetic Acid SCHEMBL3340918 0.85 OPRM1 (0.47) OPRM1OPRD1OPRK1HDAC1SLC2A1
Trifluoroacetic Acid SCHEMBL3339790 0.82 OPRM1 (0.48) OPRM1OPRD1OPRK1HDAC1KDM1A
Trifluoroacetic Acid SCHEMBL3340017 0.81 OPRM1 (0.51) OPRM1OPRD1OPRK1HDAC1SLC2A1
Trifluoroacetic Acid SCHEMBL3339343 0.81 OPRM1 (0.44) OPRM1OPRD1OPRK1HDAC1SLC2A1

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.