Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3338259

O=C(O)C(F)(F)F.c1cc(CNC2Cc3ccccc3C2)cc(-c2ccc(-c3ncc[nH]3)cc2)c1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.49
HTR5A P47898 1/20 0.44
HDAC1 Q13547 1/20 0.44
PRMT5 O14744 1/20 0.41
APOB P04114 1/20 0.40
MTTP P55157 1/20 0.40
SMO Q99835 2/20 0.40
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
RAD52 P43351 1/20 0.39
FYN P06241 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
VCP P55072 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
Trifluoroacetic Acid SCHEMBL3342448 0.93 SLC2A1 (0.53) SLC2A1HTR5AHDAC1PRMT5APOB
SCHEMBL1789964 0.90 NISCH (0.44) SLC2A1HTR5AHDAC1PRMT5MTOR
Trifluoroacetic Acid SCHEMBL3346088 0.85 RAD52 (0.40) SLC2A1HTR5ARAD52KDM4EALDH1A1
SCHEMBL1787991 0.82 HDAC1 (0.47) SLC2A1HTR5AHDAC1PRMT5MTOR
SCHEMBL3338262 0.80 MRGPRX4 (0.35) SLC2A1PRMT5MTORADKNISCH
Trifluoroacetic Acid SCHEMBL3340019 0.78 SLC2A1 (0.41) SLC2A1HTR5AHDAC1RAD52VCP
Trifluoroacetic Acid SCHEMBL3337454 0.78 SLC2A1 (0.55) SLC2A1HTR5AHDAC1PRMT5APOB
Trifluoroacetic Acid SCHEMBL3340384 0.77 SLC2A1 (0.54) SLC2A1HTR5AHDAC1PRMT5APOB
Trifluoroacetic Acid SCHEMBL1790201 0.77 SLC2A1 (0.58) SLC2A1HTR5AHDAC1PRMT5APOB
Trifluoroacetic Acid SCHEMBL16195088 0.76 SLC2A1 (0.53) SLC2A1HTR5AHDAC1PRMT5APOB

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

“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.