Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339697

NC(=O)c1cc(F)cc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.50
HDAC1 Q13547 1/20 0.49
HTR5A P47898 1/20 0.49
OPRM1 P35372 6/20 0.46
OPRD1 P41143 6/20 0.46
OPRK1 P41145 6/20 0.46
APOB P04114 1/20 0.42
MTTP P55157 1/20 0.42
SMO Q99835 1/20 0.42
FYN P06241 1/20 0.41
PRMT5 O14744 2/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
GRIN2B Q13224 1/20 0.39
PPARA Q07869 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
SCHEMBL12650975 0.94 HDAC1 (0.52) SLC2A1HDAC1HTR5AOPRM1OPRD1
Trifluoroacetic Acid SCHEMBL1790201 0.88 SLC2A1 (0.58) SLC2A1HDAC1HTR5AOPRM1OPRD1
Trifluoroacetic Acid SCHEMBL3342349 0.82 OPRM1 (0.47) SLC2A1HDAC1HTR5AOPRM1OPRD1
Trifluoroacetic Acid SCHEMBL3342665 0.82 SLC2A1 (0.50) SLC2A1HDAC1HTR5AOPRM1OPRD1
SCHEMBL12651507 0.81 HDAC1 (0.52) SLC2A1HDAC1HTR5AOPRM1OPRD1
SCHEMBL12651089 0.81 OPRM1 (0.54) HDAC1OPRM1OPRD1OPRK1PRMT5
Hydrochloric Acid SCHEMBL3345693 0.80 HDAC1 (0.51) SLC2A1HDAC1HTR5AOPRM1OPRD1
Hydrochloric Acid SCHEMBL3342733 0.80 OPRM1 (0.53) HDAC1OPRM1OPRD1OPRK1PRMT5
SCHEMBL1785708 0.80 HDAC1 (0.60) SLC2A1HDAC1OPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3345474 0.78 SLC2A1 (0.46) SLC2A1HDAC1HTR5AOPRM1OPRD1

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 SLC2A1 2287/4885HDAC1 1478/4885HTR5A 281/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 SLC2A1 4173/4885HDAC1 2440/4885HTR5A 204/4885

“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.