Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2994701

NCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)s1.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.66
IKBKB O14920 9/20 0.53
CHUK O15111 9/20 0.53
ROCK1 Q13464 3/20 0.44
P2RY14 Q15391 3/20 0.41
CIT O14578 1/20 0.40
CAPN1 P07384 2/20 0.37
CYP2C9 P11712 1/20 0.34
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL2991561 0.94 MAP3K5 (0.73) MAP3K5IKBKBCHUKROCK1P2RY14
Trifluoroacetic Acid SCHEMBL2985548 0.93 IKBKB (0.62) MAP3K5IKBKBCHUKROCK1P2RY14
SCHEMBL2997188 0.88 IKBKB (0.68) MAP3K5IKBKBCHUKROCK1P2RY14
Trifluoroacetic Acid SCHEMBL2988572 0.87 MAP3K5 (0.51) MAP3K5IKBKBCHUKCITCAPN1
SCHEMBL2985551 0.85 MAP3K5 (0.53) MAP3K5IKBKBCHUKROCK1P2RY14
Trifluoroacetic Acid SCHEMBL3414334 0.83 IKBKB (0.78) MAP3K5IKBKBCHUKROCK1CIT
SCHEMBL2984785 0.82 IKBKB (0.52) MAP3K5IKBKBCHUKCITCYP2C9
SCHEMBL2981752 0.81 MAP3K5 (0.55) MAP3K5IKBKBCHUKROCK1CIT
Trifluoroacetic Acid SCHEMBL2991581 0.81 IKBKB (0.61) MAP3K5IKBKBCHUKROCK1CIT
SCHEMBL2984098 0.81 MAP3K5 (0.54) MAP3K5IKBKBCHUKCIT

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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 MAP3K5 7/4885IKBKB 11/4885CHUK 22/4885

“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.