Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4335735

O=C(NCC1(CO)CCCC1)c1nc(-c2ccc(F)cc2)c2ccccn12.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.52
▸ CNR1 P21554 2/20 0.52
▸ RORC P51449 8/20 0.41
▸ PPARG P37231 1/20 0.39
▸ MAP2K3 P46734 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTR4 Q13639 1/20 0.35

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
SCHEMBL13578202 0.95 CNR2 (0.54) CNR2CNR1RORCPPARGMAP2K3
Trifluoroacetic Acid SCHEMBL4323570 0.91 CNR2 (0.52) CNR2CNR1RORCPPARGMAP2K3
Trifluoroacetic Acid SCHEMBL4331196 0.86 CNR2 (0.53) CNR2CNR1RORCPPARG
Trifluoroacetic Acid SCHEMBL4334962 0.86 CNR2 (0.58) CNR2CNR1HPGDHTR4
Trifluoroacetic Acid SCHEMBL4320546 0.85 RORC (0.44) CNR2CNR1RORCPPARGMAP2K3
Trifluoroacetic Acid SCHEMBL4319760 0.85 CNR2 (0.57) CNR2CNR1HPGDHTR4
SCHEMBL13578158 0.84 MAP2K3 (0.55) CNR2CNR1RORCMAP2K3KDM4E
Trifluoroacetic Acid SCHEMBL4321896 0.84 CNR2 (0.56) CNR2CNR1HPGDHTR4
SCHEMBL13578247 0.82 DGAT2 (0.45) CNR2CNR1RORCMAP2K3KDM4E
SCHEMBL13578104 0.81 CNR2 (0.62) CNR2CNR1HTR4

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 CNR2 1/4885CNR1 2/4885RORC 135/4885

“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.

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