Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339696

NC(=O)c1cccc(-c2ccc(CNCC3CCCCC3)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 1/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 4/20 0.47
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
FAAH O00519 3/20 0.43
TRPA1 O75762 1/20 0.43
EPHX2 P34913 1/20 0.43
FAAH2 Q6GMR7 1/20 0.43
MGLL Q99685 1/20 0.43
CNR1 P21554 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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 SCHEMBL3345279 1.00 MEN1 (0.50) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL1787140 0.92 MEN1 (0.57) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL1345988 0.92 MEN1 (0.57) MEN1KMT2AOPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3343134 0.92 HTR5A (0.47) MEN1KMT2AOPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3340208 0.86 HDAC1 (0.53) MEN1KMT2AHDAC1HDAC6DPP4
Trifluoroacetic Acid SCHEMBL3340366 0.86 HDAC1 (0.53) MEN1KMT2AHDAC1HDAC6DPP4
SCHEMBL1348267 0.85 MEN1 (0.48) MEN1KMT2AOPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3340309 0.84 OPRM1 (0.47) MEN1KMT2AOPRM1OPRD1HDAC6
SCHEMBL1347674 0.84 OPRM1 (0.48) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL1347716 0.83 SIGMAR1 (0.50) MEN1KMT2AOPRM1OPRD1OPRK1

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 MEN1 4375/4885KMT2A 2191/4885OPRM1 4/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 MEN1 4865/4885KMT2A 3867/4885OPRM1 2/4885

“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.