Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL12468941

CCC(=O)C(N)CC.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 5/20 0.39
DPP7 Q9UHL4 3/20 0.37
DPP4 P27487 3/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR2 O95136 4/20 0.35
S1PR5 Q9H228 3/20 0.35
GRB2 P62993 1/20 0.35
GRIK1 P39086 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK5 Q16478 1/20 0.33
GCLC P48506 1/20 0.33
PTPN1 P18031 1/20 0.33
KIF11 P52732 1/20 0.32
SLC7A5 Q01650 1/20 0.31
NOS3 P29474 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
SCHEMBL12280642 0.84
SCHEMBL12280967 0.84
SCHEMBL12462672 0.84
Trifluoroacetic Acid SCHEMBL3555663 0.82 DPP8 (0.44) DPP8DPP7DPP4SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL9548897 0.82
Trifluoroacetic Acid SCHEMBL19817316 0.81 DPP8 (0.40) DPP8DPP7DPP4SLC1A3SLC1A2
Trifluoroacetic Acid SCHEMBL19817314 0.81 DPP8 (0.40) DPP8DPP7DPP4SLC1A3SLC1A2
Trifluoroacetic Acid SCHEMBL28032065 0.79 SLC1A3 (0.45) DPP8DPP7DPP4SLC1A3SLC1A2
Trifluoroacetic Acid SCHEMBL27860844 0.78 DPP8 (0.41) DPP8DPP7DPP4SLC1A3SLC1A2
Trifluoroacetic Acid SCHEMBL2496872 0.76 DPP8 (0.38) DPP8DPP7DPP4SLC1A3SLC1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 US disclosed
US-10155761-B2 CXCR4 receptor antagonists PROXIMAGEN, LLC (US) 2018-12-18 US disclosed
EP-2927224-B1 Receptor antagonists PROXIMAGEN LTD (GB) 2018-10-03 EP disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 US disclosed
EP-2927224-A1 Receptor antagonists Proximagen Limited (GB) 2015-10-07 EP disclosed
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 EP disclosed
US-20130289020-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2013-10-31 US disclosed
EP-2627649-A1 CXCR4 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-21 EP disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 WO 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 (5 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-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 DPP8 2172/4885DPP7 2335/4885DPP4 2014/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 DPP8 696/4885DPP7 1217/4885DPP4 1242/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 DPP8 2172/4885DPP7 2335/4885DPP4 2014/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 DPP8 2172/4885DPP7 2335/4885DPP4 2014/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 DPP8 2172/4885DPP7 2335/4885DPP4 2014/4885

“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.