Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3342448

O=C(O)C(F)(F)F.c1cc(-c2ccc(CNC3Cc4ccccc4C3)cc2)cc(-c2ncc[nH]2)c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.53
HDAC1 Q13547 3/20 0.48
HTR5A P47898 1/20 0.48
PRMT5 O14744 1/20 0.41
APOB P04114 1/20 0.40
MTTP P55157 1/20 0.40
SMO Q99835 3/20 0.40
VCP P55072 3/20 0.39
FYN P06241 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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 SCHEMBL3338259 0.93 SLC2A1 (0.49) SLC2A1HDAC1HTR5APRMT5APOB
SCHEMBL1787991 0.90 HDAC1 (0.47) SLC2A1HDAC1HTR5APRMT5VCP
Trifluoroacetic Acid SCHEMBL3340019 0.85 SLC2A1 (0.41) SLC2A1HDAC1HTR5AVCPMEN1
Trifluoroacetic Acid SCHEMBL3337454 0.83 SLC2A1 (0.55) SLC2A1HDAC1HTR5APRMT5APOB
Trifluoroacetic Acid SCHEMBL3340384 0.82 SLC2A1 (0.54) SLC2A1HDAC1HTR5APRMT5APOB
SCHEMBL1789964 0.82 NISCH (0.44) SLC2A1HDAC1HTR5APRMT5FYN
Trifluoroacetic Acid SCHEMBL16195088 0.81 SLC2A1 (0.53) SLC2A1HDAC1HTR5APRMT5APOB
Trifluoroacetic Acid SCHEMBL1790201 0.81 SLC2A1 (0.58) SLC2A1HDAC1HTR5APRMT5APOB
SCHEMBL3342454 0.80 VCP (0.36) SLC2A1HDAC1PRMT5VCP
Trifluoroacetic Acid SCHEMBL3050323 0.79 SLC2A1 (0.51) SLC2A1HDAC1HTR5APRMT5APOB

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.