Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4712751

NCCCn1nc(-c2ccnc(-c3cccc([N+](=O)[O-])c3)c2)cc1C(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
MAPKAPK2 P49137 1/20 0.43
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CDC7 O00311 1/20 0.36
CSNK2A1 P68400 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RCE1 Q9Y256 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 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
SCHEMBL14188411 0.94 GABRA1 (0.48) GABRA1GABRB2MAPKAPK2SSTR1SSTR2
SCHEMBL14188277 0.89 MAPKAPK2 (0.55) GABRA1GABRB2MAPKAPK2SSTR1SSTR2
Hydrochloric Acid SCHEMBL4716486 0.88 MAPKAPK2 (0.54) GABRA1GABRB2MAPKAPK2SSTR1SSTR2
SCHEMBL14188355 0.83 MAPKAPK2 (0.61) GABRA1GABRB2MAPKAPK2SSTR1SSTR2
SCHEMBL4759535 0.82 MAPT (0.48) GABRA1GABRB2MAPKAPK2MEN1KMT2A
Hydrochloric Acid SCHEMBL4713521 0.82 MAPKAPK2 (0.60) GABRA1GABRB2MAPKAPK2SSTR1SSTR2
Hydrochloric Acid SCHEMBL4717460 0.81 MAPT (0.48) GABRA1GABRB2MAPKAPK2MEN1KMT2A
SCHEMBL14188417 0.77 MAPT (0.50) GABRA1GABRB2MAPKAPK2MEN1KMT2A
Hydrochloric Acid SCHEMBL4713322 0.76 MAPT (0.49) GABRA1GABRB2MAPKAPK2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4715091 0.73 GABRA1 (0.47) GABRA1GABRB2MAPKAPK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 US disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO 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 (2 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 GABRA1 3840/4885GABRB2 2977/4885MAPKAPK2 2/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 GABRA1 4073/4885GABRB2 3305/4885MAPKAPK2 1/4885

“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.