Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339936

CC1(C)CCC(NCc2ccc(-c3cc(C(N)=O)cc(C(F)(F)F)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 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
CCR2 P41597 4/20 0.44
RXRA P19793 4/20 0.43
RXRB P28702 4/20 0.43
RXRG P48443 4/20 0.43
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
DHODH Q02127 1/20 0.39
TEAD1 P28347 1/20 0.38
SLC2A1 P11166 3/20 0.38
HTR5A P47898 1/20 0.38
P2RY14 Q15391 2/20 0.37
CCR6 P51684 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL13335560 0.96 OPRM1 (0.49) OPRM1OPRD1OPRK1CCR2RXRA
Trifluoroacetic Acid SCHEMBL3342868 0.90 OPRM1 (0.47) OPRM1OPRD1OPRK1CCR2DHODH
Trifluoroacetic Acid SCHEMBL3342349 0.90 OPRM1 (0.47) OPRM1OPRD1OPRK1CCR2RXRA
Trifluoroacetic Acid SCHEMBL3340918 0.89 OPRM1 (0.47) OPRM1OPRD1OPRK1CCR2SLC2A1
Trifluoroacetic Acid SCHEMBL3341349 0.88 OPRM1 (0.52) OPRM1OPRD1OPRK1CCR2TEAD1
Trifluoroacetic Acid SCHEMBL3338278 0.87 OPRM1 (0.50) OPRM1OPRD1OPRK1CCR2SLC2A1
Trifluoroacetic Acid SCHEMBL3340503 0.85 OPRM1 (0.47) OPRM1OPRD1OPRK1CCR2SLC2A1
SCHEMBL1786245 0.83 OPRM1 (0.52) OPRM1OPRD1OPRK1HDAC1
SCHEMBL1788812 0.82 OPRM1 (0.52) OPRM1OPRD1OPRK1DHODHHDAC1
SCHEMBL12651074 0.81 TEAD1 (0.43) CCR2RXRARXRBRXRGBACE1

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.