Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1789142

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HDAC1 Q13547 2/20 0.41
CCR2 P41597 1/20 0.41
RORC P51449 1/20 0.41
HTR5A P47898 2/20 0.40
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
BACE1 P56817 1/20 0.39
SHMT1 P34896 1/20 0.38
SHMT2 P34897 1/20 0.38
RAD52 P43351 1/20 0.38
OPRL1 P41146 1/20 0.37

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
SCHEMBL12651477 0.93 OPRM1 (0.46) MEN1RAB9AKMT2AOPRM1OPRD1
Trifluoroacetic Acid SCHEMBL3345285 0.87 OPRM1 (0.46) SLC2A1OPRM1OPRD1OPRK1HDAC1
Trifluoroacetic Acid SCHEMBL3338278 0.87 OPRM1 (0.50) SLC2A1MEN1RAB9AKMT2AOPRM1
Trifluoroacetic Acid SCHEMBL3340025 0.84 OPRM1 (0.47) OPRM1OPRD1OPRK1CCR2F11
Trifluoroacetic Acid SCHEMBL3341197 0.83 EPHX2 (0.52) SLC2A1MEN1RAB9AKMT2AOPRM1
Trifluoroacetic Acid SCHEMBL3340186 0.83 HDAC1 (0.46) SLC2A1MEN1RAB9AKMT2AOPRM1
Trifluoroacetic Acid SCHEMBL3341349 0.83 OPRM1 (0.52) SLC2A1MEN1RAB9AKMT2AOPRM1
Trifluoroacetic Acid SCHEMBL3339343 0.82 OPRM1 (0.44) SLC2A1MEN1RAB9AKMT2AOPRM1
Trifluoroacetic Acid SCHEMBL3340242 0.80 HTR5A (0.46) SLC2A1RAB9AOPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3340019 0.80 SLC2A1 (0.41) SLC2A1MEN1RAB9AKMT2AOPRM1

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 SLC2A1 4173/4885MEN1 4865/4885RAB9A 1186/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 SLC2A1 2287/4885MEN1 4375/4885RAB9A 2340/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 SLC2A1 4173/4885MEN1 4865/4885RAB9A 1186/4885

“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.