Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3341197

CC1(C)CCC(NCc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
NR1H4 Q96RI1 1/20 0.52
CFD P00746 1/20 0.48
HDAC1 Q13547 3/20 0.46
ERN1 O75460 1/20 0.46
CCR2 P41597 1/20 0.46
SENP1 Q9P0U3 2/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44
FES P07332 1/20 0.44
RET P07949 1/20 0.44
ROS1 P08922 1/20 0.44
FER P16591 1/20 0.44
FLT1 P17948 1/20 0.44
AXL P30530 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL12651503 0.94 EPHX2 (0.58) EPHX2NR1H4CFDHDAC1ERN1
Trifluoroacetic Acid SCHEMBL3340242 0.93 HTR5A (0.46) EPHX2NR1H4HDAC1SLC2A1RAB9A
Trifluoroacetic Acid SCHEMBL3340179 0.92 HTR5A (0.45) EPHX2NR1H4HDAC1SLC2A1PRKD1
Trifluoroacetic Acid SCHEMBL3340372 0.91 OPRM1 (0.44) EPHX2NR1H4HDAC1CCR2SLC2A1
Trifluoroacetic Acid SCHEMBL3340186 0.91 HDAC1 (0.46) EPHX2NR1H4HDAC1SLC2A1PRKD1
Trifluoroacetic Acid SCHEMBL3338278 0.88 OPRM1 (0.50) HDAC1CCR2SLC2A1PRKD1MEN1
SCHEMBL12651379 0.87 RAB9A (0.49) EPHX2NR1H4CFDHDAC1PRKD1
SCHEMBL12651148 0.86 EPHX2 (0.49) EPHX2NR1H4HDAC1PRKD1MEN1
SCHEMBL12651252 0.85 F10 (0.48) EPHX2NR1H4CFDHDAC1PRKD1
SCHEMBL12651075 0.83 PRKD1 (0.49) EPHX2NR1H4HDAC1PRKD1MEN1

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 EPHX2 2604/4885NR1H4 190/4885CFD 4700/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 EPHX2 1937/4885NR1H4 228/4885CFD 4628/4885

“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.