Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3341377

CC1(C)CCC(NCc2ccc(-c3cccc(C(N)=O)c3)c(F)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 1/20 0.45
KLKB1 P03952 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KCNH2 Q12809 1/20 0.40
FAAH O00519 3/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
SLC2A1 P11166 2/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SHMT1 P34896 1/20 0.38
WDR5 P61964 2/20 0.38
LIPG Q9Y5X9 1/20 0.37
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 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
SCHEMBL1347866 0.94 OPRM1 (0.49) OPRM1OPRD1OPRK1KLKB1TMEM97
Trifluoroacetic Acid SCHEMBL3346142 0.91 OPRM1 (0.45) OPRM1OPRD1OPRK1KLKB1TMEM97
Trifluoroacetic Acid SCHEMBL3340800 0.90 AKR1C3 (0.48) OPRM1OPRD1OPRK1KLKB1TMEM97
Trifluoroacetic Acid SCHEMBL3346083 0.90 OPRM1 (0.44) OPRM1OPRD1OPRK1KLKB1TMEM97
Trifluoroacetic Acid SCHEMBL3340297 0.90 KCNH2 (0.49) OPRM1OPRD1OPRK1KCNH2FAAH
Trifluoroacetic Acid SCHEMBL3340025 0.89 OPRM1 (0.47) OPRM1OPRD1OPRK1KLKB1TMEM97
Trifluoroacetic Acid SCHEMBL3338278 0.88 OPRM1 (0.50) OPRM1OPRD1OPRK1SLC2A1KDM1A
Trifluoroacetic Acid SCHEMBL3338541 0.86 FAAH (0.42) OPRM1OPRD1OPRK1FAAHAKR1C3
SCHEMBL1784883 0.86 AKR1C3 (0.48) OPRM1OPRD1OPRK1TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL16194743 0.86 OPRM1 (0.48) OPRM1OPRD1OPRK1KLKB1TMEM97

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 OPRM1 4/4885OPRD1 2/4885OPRK1 3/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 4/4885OPRK1 3/4885

“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.