Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339848

COc1c(C(N)=O)cccc1-c1ccc(CNC2Cc3ccccc3C2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APOB P04114 2/20 0.48
MTTP P55157 2/20 0.48
HTR5A P47898 1/20 0.46
SMO Q99835 5/20 0.46
SLC2A1 P11166 5/20 0.46
NR1H4 Q96RI1 1/20 0.41
HDAC1 Q13547 1/20 0.40
PRMT5 O14744 1/20 0.39
DRD2 P14416 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 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
SCHEMBL12650795 0.93 APOB (0.44) APOBMTTPHTR5ASMONR1H4
Trifluoroacetic Acid SCHEMBL3345682 0.88 MTTP (0.50) APOBMTTPHTR5ASMOSLC2A1
Trifluoroacetic Acid SCHEMBL3340938 0.85 OPRM1 (0.39) APOBMTTPHTR5ASMOSLC2A1
SCHEMBL12651160 0.82 APOB (0.48) APOBMTTPHTR5ASMOSLC2A1
Hydrochloric Acid SCHEMBL3338266 0.81 APOB (0.48) APOBMTTPHTR5ASMOSLC2A1
SCHEMBL12651067 0.80 APOB (0.46) APOBMTTPSMOSLC2A1HDAC1
SCHEMBL12651071 0.78 APOB (0.46) APOBMTTPSMOSLC2A1HDAC1
SCHEMBL12651262 0.78 OPRM1 (0.43) SMONR1H4OPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3338545 0.78 MTTP (0.50) APOBMTTPHTR5ASMOSLC2A1
Trifluoroacetic Acid SCHEMBL3338540 0.78 MTTP (0.50) APOBMTTPHTR5ASMOSLC2A1

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 APOB 1243/4885MTTP 1857/4885HTR5A 281/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 APOB 3901/4885MTTP 3164/4885HTR5A 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.