Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1786436

NC(=O)c1cccc(-c2ccc3c(c2)CCN(CC2CCCCC2)C3)c1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
MCHR1 Q99705 1/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
OPRM1 P35372 11/20 0.43
RIPK1 Q13546 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM2B Q8NHM5 1/20 0.41
OPRK1 P41145 3/20 0.40
OPRD1 P41143 9/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL12607816 0.93 ENPP2 (0.52) ENPP2PRMT5WDR77MCHR1OPRM1
Trifluoroacetic Acid SCHEMBL1783579 0.84 DPP4 (0.45) ENPP2PRMT5WDR77MCHR1DPP4
Trifluoroacetic Acid SCHEMBL1791141 0.81 OPRM1 (0.54) PRMT5WDR77OPRM1RIPK1OPRK1
Trifluoroacetic Acid SCHEMBL3345248 0.80 DPP4 (0.48) PRMT5WDR77DPP4DPP8DPP9
SCHEMBL1786439 0.80 MGLL (0.46) PRMT5WDR77MCHR1HRH3
SCHEMBL12607818 0.76 TMEM97 (0.62) PRMT5WDR77OPRM1OPRK1OPRD1
SCHEMBL12607809 0.76 FAAH (0.44) ENPP2PRMT5WDR77OPRM1RIPK1
Hydrochloric Acid SCHEMBL1785554 0.75 TMEM97 (0.61) PRMT5WDR77OPRM1OPRK1OPRD1
Trifluoroacetic Acid SCHEMBL3339550 0.74 DPP4 (0.42) PRMT5WDR77DPP4DPP8DPP9
SCHEMBL12607826 0.74 OPRM1 (0.59) PRMT5WDR77OPRM1OPRK1OPRD1

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 4 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-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 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 (3 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 ENPP2 869/4885PRMT5 3222/4885WDR77 1787/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 ENPP2 618/4885PRMT5 1975/4885WDR77 974/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 ENPP2 869/4885PRMT5 3222/4885WDR77 1787/4885

“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.