Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3341349

CC1(C)CCC(NCc2ccc(-c3ccc(C(N)=O)cc3)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC2A1 P11166 4/20 0.42
HTR5A P47898 1/20 0.42
HDAC1 Q13547 4/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CCR2 P41597 1/20 0.39
CHEK1 O14757 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
OPRL1 P41146 1/20 0.37
TEAD1 P28347 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
SCHEMBL12651378 0.92 OPRM1 (0.59) OPRM1OPRD1OPRK1KDM1AMAOA
Trifluoroacetic Acid SCHEMBL3345285 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1KDM1AMAOA
Trifluoroacetic Acid SCHEMBL3338278 0.90 OPRM1 (0.50) OPRM1OPRD1OPRK1KDM1AMAOA
Trifluoroacetic Acid SCHEMBL3342868 0.89 OPRM1 (0.47) OPRM1OPRD1OPRK1MEN1RAB9A
Trifluoroacetic Acid SCHEMBL3342349 0.89 OPRM1 (0.47) OPRM1OPRD1OPRK1MEN1RAB9A
Trifluoroacetic Acid SCHEMBL3339936 0.88 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC2A1HTR5A
Trifluoroacetic Acid SCHEMBL3340503 0.88 OPRM1 (0.47) OPRM1OPRD1OPRK1KDM1AMEN1
Trifluoroacetic Acid SCHEMBL3340918 0.88 OPRM1 (0.47) OPRM1OPRD1OPRK1MEN1RAB9A
Trifluoroacetic Acid SCHEMBL3340017 0.88 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC2A1HTR5A
Trifluoroacetic Acid SCHEMBL3339343 0.86 OPRM1 (0.44) OPRM1OPRD1OPRK1MEN1RAB9A

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.