Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3342749

C[C@H](NC1CCC(C)(C)CC1)c1ccc(-c2cccc(C(N)=O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.55
DPP7 Q9UHL4 12/20 0.55
DPP8 Q6V1X1 7/20 0.55
DPP9 Q86TI2 5/20 0.55
CCR6 P51684 1/20 0.41
ADAMTS4 O75173 1/20 0.40
KCNH2 Q12809 1/20 0.39
LDHB P07195 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PDK2 Q15119 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL3339763 1.00 DPP4 (0.55) DPP4DPP7DPP8DPP9CCR6
SCHEMBL12651058 0.93 DPP4 (0.49) DPP4DPP7DPP8DPP9CCR6
SCHEMBL12651463 0.93 DPP4 (0.49) DPP4DPP7DPP8DPP9CCR6
Trifluoroacetic Acid SCHEMBL3338278 0.82 OPRM1 (0.50) DPP4DPP7DPP8DPP9CCR6
Trifluoroacetic Acid SCHEMBL3341720 0.80 DPP4 (0.44) DPP4DPP7DPP8DPP9CCR6
Trifluoroacetic Acid SCHEMBL3339283 0.79 DPP4 (0.43) DPP4DPP7DPP8DPP9CCR6
Trifluoroacetic Acid SCHEMBL3340025 0.78 OPRM1 (0.47) DPP4DPP7DPP8DPP9CCR6
Trifluoroacetic Acid SCHEMBL16194723 0.78 DPP4 (0.42) DPP4DPP7DPP8DPP9CCR6
Trifluoroacetic Acid SCHEMBL3339667 0.77 DPP4 (0.42) DPP4DPP7DPP8DPP9CCR6
Trifluoroacetic Acid SCHEMBL3340014 0.77 CTSC (0.44) DPP4DPP7DPP8DPP9CCR6

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.