Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL522846

CCCCOC(=O)N1CCN(C(=O)[C@@H](N)C(C)C)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH2 P25021 3/20 0.44
HRH1 P35367 3/20 0.44
DPP7 Q9UHL4 7/20 0.43
DPP4 P27487 7/20 0.43
DPP8 Q6V1X1 5/20 0.43
P2RY12 Q9H244 5/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL318029 0.91 POLB (0.54) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL318030 0.91 POLB (0.54) LMNAPOLBSMN1; SMN2HRH2HRH1
Trifluoroacetic Acid SCHEMBL315987 0.85 LMNA (0.46) LMNAPOLBSMN1; SMN2HRH2HRH1
Trifluoroacetic Acid SCHEMBL3328879 0.85 LMNA (0.46) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL524171 0.82 LMNA (0.52) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL3331630 0.81 LMNA (0.51) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL3327643 0.81 LMNA (0.51) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL523718 0.80 POLB (0.56) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL523719 0.80 POLB (0.56) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL3331902 0.80 POLB (0.50) LMNAPOLBSMN1; SMN2HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 EP disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 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-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 LMNA 3717/4885POLB 3364/4885SMN1; SMN2 3419/4885

“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.