Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL566893

C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1ccc2cnc3[nH]cnc3c21.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.49
JAK2 O60674 10/20 0.49
JAK3 P52333 10/20 0.49
TYK2 P29597 5/20 0.49
CHRM2 P08172 5/20 0.37
CHRM1 P11229 5/20 0.37
CHRM5 P08912 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM4 P08173 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL10099359 0.93 JAK2 (0.56) JAK1JAK2JAK3TYK2
Trifluoroacetic Acid SCHEMBL3319468 0.83 JAK1 (0.45) JAK1JAK2JAK3TYK2CHRM2
Trifluoroacetic Acid SCHEMBL3313371 0.83 JAK1 (0.45) JAK1JAK2JAK3TYK2CHRM2
SCHEMBL566555 0.79 JAK1 (0.74) JAK1JAK2JAK3TYK2
SCHEMBL565627 0.79 JAK1 (0.74) JAK1JAK2JAK3TYK2
SCHEMBL13398079 0.76 JAK1 (0.49) JAK1JAK2JAK3TYK2
SCHEMBL13398151 0.75 JAK2 (0.49) JAK1JAK2JAK3TYK2
SCHEMBL28887766 0.74 JAK2 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL10099452 0.74 JAK2 (0.51) JAK1JAK2JAK3TYK2
SCHEMBL14697497 0.72 JAK1 (0.75) JAK1JAK2JAK3TYK2

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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885JAK3 3/4885

“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.