Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4333533

O=C(NC1CCCc2ccccc21)c1nc(-c2ccncc2)c2ccccn12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAP2K3 P46734 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.46
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.46
CNR1 P21554 3/20 0.44
CNR2 P34972 2/20 0.44
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL13578152 0.94 KDM4E (0.55) KDM4EMAP2K3ALDH1A1HTTROCK2
Trifluoroacetic Acid SCHEMBL4327655 0.85 KDM4E (0.53) KDM4EALDH1A1HTTSMN1; SMN2TSHR
Trifluoroacetic Acid SCHEMBL4339626 0.83 MAP2K3 (0.53) KDM4EMAP2K3ALDH1A1ROCK1KMT2A
Trifluoroacetic Acid SCHEMBL4321534 0.80 MAP2K3 (0.51) MAP2K3CNR1
Trifluoroacetic Acid SCHEMBL4325507 0.79 MAP2K3 (0.50) MAP2K3ROCK2CNR1CNR2
Trifluoroacetic Acid SCHEMBL4325899 0.78 MAP2K3 (0.54) KDM4EMAP2K3ALDH1A1KMT2ACNR2
SCHEMBL13578215 0.78 KDM4E (0.59) KDM4EALDH1A1HTTTSHRCNR1
Trifluoroacetic Acid SCHEMBL4327668 0.76 MAP2K3 (0.48) KDM4EMAP2K3HTTKMT2ACNR1
Trifluoroacetic Acid SCHEMBL4326035 0.76 MAP2K3 (0.53) KDM4EMAP2K3ALDH1A1KMT2ACNR1
SCHEMBL13578146 0.76 MAP2K3 (0.60) KDM4EMAP2K3ALDH1A1ROCK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 KDM4E 2430/4885MAP2K3 1970/4885ALDH1A1 2838/4885

“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.