Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339192

CC1(C)CCC(NCc2ccc(-c3cccc(C(N)=O)c3F)cc2F)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.41
CNR1 P21554 1/20 0.41
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
SLC2A1 P11166 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL1787929 0.95 BDKRB1 (0.41) BDKRB1CNR1JAK2JAK1BMPR1B
Trifluoroacetic Acid SCHEMBL16194864 0.93 BDKRB1 (0.40) BDKRB1CNR1JAK2JAK1BMPR1B
Trifluoroacetic Acid SCHEMBL3339973 0.92 BDKRB1 (0.39) BDKRB1CNR1JAK2JAK1BMPR1B
Trifluoroacetic Acid SCHEMBL3339670 0.88 BMPR1B (0.37) JAK2JAK1BMPR1BBMPR1ATGFBR1
Trifluoroacetic Acid SCHEMBL3340083 0.87 OPRM1 (0.41) JAK2JAK1SLC2A1
SCHEMBL12651271 0.87 PDCD1 (0.41) BDKRB1CNR1JAK2JAK1BMPR1B
SCHEMBL12651510 0.86 BDKRB1 (0.40) BDKRB1CNR1JAK2JAK1BMPR1B
Trifluoroacetic Acid SCHEMBL3340014 0.85 CTSC (0.44) BDKRB1CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL1784811 0.82 OPRM1 (0.44) JAK2JAK1
SCHEMBL12651164 0.82 BMPR1B (0.38) JAK2JAK1BMPR1BBMPR1ATGFBR1

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 BDKRB1 177/4885CNR1 43/4885JAK2 723/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 BDKRB1 163/4885CNR1 22/4885JAK2 2064/4885

“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.