Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339975

Cc1cc(CNC2Cc3ccccc3C2)ccc1-c1cccc(C(N)=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.52
OPRD1 P41143 4/20 0.52
OPRK1 P41145 4/20 0.52
SLC2A1 P11166 5/20 0.46
SMO Q99835 4/20 0.43
HTR5A P47898 1/20 0.42
HDAC1 Q13547 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PRMT5 O14744 1/20 0.41
SHMT1 P34896 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39

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
SCHEMBL12651157 0.93 OPRM1 (0.58) OPRM1OPRD1OPRK1SMOHDAC1
Trifluoroacetic Acid SCHEMBL1790201 0.86 SLC2A1 (0.58) OPRM1OPRD1OPRK1SLC2A1SMO
Trifluoroacetic Acid SCHEMBL3346142 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1KDM1AMAOA
SCHEMBL12607941 0.85 OPRM1 (0.55) OPRM1OPRD1OPRK1SMOHDAC1
Hydrochloric Acid SCHEMBL3337917 0.84 OPRM1 (0.55) OPRM1OPRD1OPRK1SMOHDAC1
SCHEMBL4478715 0.83 OPRM1 (0.64) OPRM1OPRD1OPRK1SLC2A1SMO
Trifluoroacetic Acid SCHEMBL3345474 0.82 SLC2A1 (0.46) OPRM1OPRD1OPRK1SLC2A1HTR5A
SCHEMBL4084233 0.81 OPRM1 (0.57) OPRM1OPRD1OPRK1SLC2A1SMO
SCHEMBL1347643 0.80 SHMT1 (0.41) OPRM1OPRD1OPRK1KDM1AMAOA
Trifluoroacetic Acid SCHEMBL3342665 0.79 SLC2A1 (0.50) OPRM1OPRD1OPRK1SLC2A1SMO

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.