Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339670

CC1(C)CCC(NCc2ccc(-c3cccc(C(N)=O)c3F)c(F)c2F)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
CD38 P28907 3/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CD274 Q9NZQ7 4/20 0.33
PDCD1LG2 Q9BQ51 2/20 0.33
KCNJ1 P48048 1/20 0.33
JAK1 P23458 5/20 0.32
JAK2 O60674 3/20 0.32
SLC2A1 P11166 1/20 0.32
SCN9A Q15858 1/20 0.32
JAK3 P52333 1/20 0.32
PDCD1 Q15116 2/20 0.32
PARP1 P09874 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL12651164 0.94 BMPR1B (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Trifluoroacetic Acid SCHEMBL3339192 0.88 BDKRB1 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Trifluoroacetic Acid SCHEMBL3340083 0.86 OPRM1 (0.41) OPRM1OPRD1OPRK1JAK1JAK2
Trifluoroacetic Acid SCHEMBL3338541 0.85 FAAH (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1787929 0.83 BDKRB1 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Trifluoroacetic Acid SCHEMBL16194864 0.81 BDKRB1 (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Trifluoroacetic Acid SCHEMBL3339973 0.81 BDKRB1 (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1784811 0.80 OPRM1 (0.44) OPRM1OPRD1OPRK1JAK1JAK2
SCHEMBL12651386 0.80 FAAH (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Trifluoroacetic Acid SCHEMBL3339087 0.77 OPRM1 (0.41) OPRM1OPRD1OPRK1CD274JAK1

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 BMPR1B 458/4885BMPR1A 453/4885TGFBR1 1808/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 BMPR1B 672/4885BMPR1A 591/4885TGFBR1 817/4885

“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.