Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4329958

O=C(NC1(CO)CCOCC1)c1nc(-c2ccc(F)cc2)c2ccccn12.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 2/20 0.43
▸ RORC P51449 9/20 0.41
▸ PPARG P37231 1/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CSNK1D P48730 2/20 0.37
▸ CSNK1E P49674 2/20 0.37
▸ MAP2K3 P46734 1/20 0.37
▸ HTR4 Q13639 2/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ CNR1 P21554 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
SCHEMBL13578207 0.95 DGAT2 (0.46) DGAT2RORCCNR2CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL4320546 0.91 RORC (0.44) DGAT2RORCPPARGCNR2MAP2K3
SCHEMBL4332898 0.89 HIF1A (0.47) DGAT2RORCPPARGCNR2MAP2K3
Trifluoroacetic Acid SCHEMBL4341385 0.87 DGAT2 (0.41) DGAT2CNR2CSNK1DCSNK1ECNR1
Trifluoroacetic Acid SCHEMBL4327549 0.87 CASP3 (0.43) DGAT2RORCPPARGCNR2
SCHEMBL4330621 0.86 RORC (0.42) DGAT2RORCPPARGCNR2MAP2K3
SCHEMBL4334549 0.86 HIF1A (0.45) DGAT2RORCCNR2MAP2K3HTR4
SCHEMBL13578248 0.85 DGAT2 (0.43) DGAT2RORCPPARGCNR2MAP2K3
SCHEMBL4338498 0.85 DGAT2 (0.43) DGAT2RORCCNR2MAP2K3HTR4
SCHEMBL4325940 0.85 RORC (0.42) DGAT2RORCCNR2MAP2K3HTR4

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 DGAT2 2919/4885RORC 135/4885PPARG 103/4885

“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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