Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339550

CC1(C)CCCC(N2CCc3cc(-c4cccc(C(N)=O)c4)ccc3C2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
DPP7 Q9UHL4 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 1/20 0.42
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
RIPK1 Q13546 1/20 0.38
IDH1 O75874 1/20 0.38
MAP4K1 Q92918 1/20 0.37
TDP2 O95551 1/20 0.37
PDK2 Q15119 1/20 0.36
OGG1 O15527 1/20 0.36
CYP11B2 P19099 1/20 0.36
RORC P51449 1/20 0.36
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
PRMT5 O14744 1/20 0.34

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
SCHEMBL1785733 0.94 TDP2 (0.41) DPP4DPP8JAK1JAK3RIPK1
Trifluoroacetic Acid SCHEMBL1783579 0.88 DPP4 (0.45) DPP4DPP7DPP8DPP9RIPK1
SCHEMBL3339557 0.83 NPC1 (0.41) MAP4K1
SCHEMBL1786382 0.83 MAP4K1 (0.44) DPP4DPP8RIPK1MAP4K1TDP2
Hydrochloric Acid SCHEMBL3340501 0.82 MAP4K1 (0.44) DPP4DPP8RIPK1MAP4K1TDP2
SCHEMBL12607809 0.81 FAAH (0.44) RIPK1TDP2OGG1CYP11B2RORC
Trifluoroacetic Acid SCHEMBL3343257 0.78 MAP4K1 (0.46) DPP4DPP7DPP8DPP9MAP4K1
Trifluoroacetic Acid SCHEMBL3342708 0.75 PARP1 (0.36) MAP4K1HRH3
Trifluoroacetic Acid SCHEMBL3339970 0.75 PARP1 (0.36) MAP4K1
Trifluoroacetic Acid SCHEMBL1786436 0.74 ENPP2 (0.47) DPP4DPP7DPP8DPP9RIPK1

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 DPP4 1431/4885DPP7 1333/4885DPP8 2313/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 DPP4 1228/4885DPP7 1096/4885DPP8 932/4885

“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.