Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL314381

C[C@@H]1CNc2ccc(Cl)cc2-n2c(-c3cc(Cl)ccc3F)nnc21.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.33
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
SLC2A1 P11166 2/20 0.33
BRD4 O60885 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
NOTUM Q6P988 1/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
AVPR1A P37288 1/20 0.32
BCHE P06276 1/20 0.32
HSD11B1 P28845 1/20 0.32

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 SCHEMBL314380 1.00 GPR6 (0.33) GPR6DPP4DPP7TRPV1SLC2A1
SCHEMBL314816 0.91 HSD11B1 (0.37) BRD4BCHEHSD11B1
SCHEMBL315207 0.91 HSD11B1 (0.37) BRD4BCHEHSD11B1
SCHEMBL315208 0.91 HSD11B1 (0.37) BRD4BCHEHSD11B1
Trifluoroacetic Acid SCHEMBL314788 0.84 TNKS2 (0.42) GPR6TNKS2TACR2TACR1TACR3
SCHEMBL314431 0.83 HSD11B1 (0.37) BRD4AVPR1ABCHEHSD11B1
SCHEMBL314433 0.83 HSD11B1 (0.37) BRD4AVPR1ABCHEHSD11B1
SCHEMBL314432 0.83 HSD11B1 (0.37) BRD4AVPR1ABCHEHSD11B1
Trifluoroacetic Acid SCHEMBL314138 0.82 ALDH1A1 (0.42) GPR6BRD4
Trifluoroacetic Acid SCHEMBL314137 0.82 ALDH1A1 (0.42) GPR6BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 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 (1 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 GPR6 1793/4885DPP4 727/4885DPP7 665/4885

“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.