Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3345226

NC(=O)c1cccc(-c2cccc(CCNC3Cc4ccccc4C3)c2)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
GRIN2B Q13224 4/20 0.50
PRMT5 O14744 1/20 0.46
SLC2A1 P11166 3/20 0.45
SIGMAR1 Q99720 1/20 0.43
FAAH O00519 1/20 0.42
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HDAC1 Q13547 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
BACE1 P56817 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL1789437 0.93 GRIN2B (0.55) GRIN2BPRMT5SIGMAR1FAAHKDM1A
Trifluoroacetic Acid SCHEMBL1790201 0.84 SLC2A1 (0.58) PRMT5SLC2A1KDM1AMAOAMAOB
Trifluoroacetic Acid SCHEMBL3339836 0.83 MEN1 (0.41) FAAHF11KLKB1OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL3345140 0.79 OPRM1 (0.53) PRMT5SLC2A1SIGMAR1F11KLKB1
Trifluoroacetic Acid SCHEMBL3339839 0.79 OPRM1 (0.56) PRMT5SLC2A1FAAHHDAC1OPRM1
Trifluoroacetic Acid SCHEMBL3346132 0.79 FAAH (0.42) FAAHF11KLKB1OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL3345474 0.79 SLC2A1 (0.46) PRMT5SLC2A1F11KLKB1KDM1A
Trifluoroacetic Acid SCHEMBL3339102 0.79 HDAC1 (0.52) PRMT5SLC2A1F11KLKB1HDAC1
Trifluoroacetic Acid SCHEMBL3339975 0.78 OPRM1 (0.52) PRMT5SLC2A1KDM1AMAOAMAOB
Trifluoroacetic Acid SCHEMBL3340309 0.78 OPRM1 (0.47) FAAHF11KLKB1OPRM1OPRD1

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 GRIN2B 132/4885PRMT5 1975/4885SLC2A1 2287/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 GRIN2B 135/4885PRMT5 3222/4885SLC2A1 4173/4885

“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.