Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3345314

CC1(C)CCC(NCc2ccc(-c3cccc(C(N)=O)c3)nc2)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
KDM1A O60341 2/20 0.42
HPGDS O60760 3/20 0.41
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CCR6 P51684 1/20 0.39
PRKD1 Q15139 3/20 0.39
VEGFA P15692 1/20 0.38
FLT1 P17948 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 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
SCHEMBL1345620 0.94 OPRM1 (0.49) OPRM1OPRD1OPRK1KDM1AHPGDS
Trifluoroacetic Acid SCHEMBL3338278 0.88 OPRM1 (0.50) OPRM1OPRD1OPRK1KDM1ACCR6
Trifluoroacetic Acid SCHEMBL3340025 0.87 OPRM1 (0.47) OPRM1OPRD1OPRK1KDM1AF11
Trifluoroacetic Acid SCHEMBL3345294 0.85 CCR6 (0.43) OPRM1OPRD1OPRK1F11KLKB1
Trifluoroacetic Acid SCHEMBL3345474 0.84 SLC2A1 (0.46) OPRM1OPRD1OPRK1KDM1AHPGDS
Trifluoroacetic Acid SCHEMBL3341377 0.84 OPRM1 (0.45) OPRM1OPRD1OPRK1KDM1AKLKB1
Trifluoroacetic Acid SCHEMBL3346142 0.84 OPRM1 (0.45) OPRM1OPRD1OPRK1KDM1AF11
Trifluoroacetic Acid SCHEMBL3339790 0.84 OPRM1 (0.48) OPRM1OPRD1OPRK1KDM1APRKD1
Trifluoroacetic Acid SCHEMBL3340800 0.83 AKR1C3 (0.48) OPRM1OPRD1OPRK1KDM1AF11
Trifluoroacetic Acid SCHEMBL3346083 0.83 OPRM1 (0.44) OPRM1OPRD1OPRK1KDM1AF11

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.