Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6350855

COC(=O)C1NCCc2c1n(C)c1ccc(OC)cc21.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.53
MAPKAPK5 Q8IW41 1/20 0.46
CFTR P13569 1/20 0.43
KDM1A O60341 1/20 0.42
MTNR1A P48039 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL6234161 0.93 MAPKAPK2 (0.59) MAPKAPK2MAPKAPK5MTNR1APTGS1PTGS2
Trifluoroacetic Acid SCHEMBL6356116 0.88 MAPKAPK2 (0.50) MAPKAPK2MAPKAPK5KDM1APTGS1PTGS2
SCHEMBL6239283 0.85 MAPKAPK2 (0.58) MAPKAPK2MAPKAPK5MTNR1APTGS1PTGS2
SCHEMBL6240818 0.80 MAPKAPK2 (0.56) MAPKAPK2MAPKAPK5PTGS1PTGS2
SCHEMBL7852873 0.73 MAPKAPK2 (0.42) MAPKAPK2MAPKAPK5MTNR1APTGS1PTGS2
SCHEMBL16602554 0.72 MAPKAPK2 (0.55) MAPKAPK2MAPKAPK5
SCHEMBL1491372 0.69 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5
Hydrochloric Acid SCHEMBL6352215 0.68 MAPKAPK2 (0.98) MAPKAPK2MAPKAPK5
Hydrochloric Acid SCHEMBL7684052 0.67 KMT2A (0.44) MAPKAPK2MAPKAPK5MTNR1A
SCHEMBL11284818 0.67 KDM4E (0.47) MAPKAPK2MAPKAPK5PTGS1PTGS2

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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885MAPKAPK5 34/4885CFTR 4489/4885

“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.