Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4714469

CN(C)c1ccc(-c2cc(-c3cc(C(=O)O)n(CCN)n3)ccn2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.58
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ KDM5A P29375 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ MARS1 P56192 3/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ASIC1 P78348 3/20 0.34
▸ RORC P51449 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL14188284 0.94 MAPKAPK2 (0.64) MAPKAPK2LOXL2KDM5AKDM4CKDM5B
Trifluoroacetic Acid SCHEMBL4718393 0.89 MAPKAPK2 (0.47) MAPKAPK2ALDH1A1MAPT
SCHEMBL4716306 0.88 MAPKAPK2 (0.57) MAPKAPK2LOXL2KDM5AKDM4CKDM5B
Hydrochloric Acid SCHEMBL4712552 0.87 MAPKAPK2 (0.56) MAPKAPK2LOXL2KDM5AKDM4CKDM5B
Trifluoroacetic Acid SCHEMBL4791161 0.87 MAPKAPK2 (0.56) MAPKAPK2KDM5AKDM4CKDM5BKDM4E
SCHEMBL4714467 0.86 MAPKAPK2 (0.47) MAPKAPK2ALDH1A1FLT3MAPTABL1
Trifluoroacetic Acid SCHEMBL4717073 0.85 MAPKAPK2 (0.56) MAPKAPK2KDM5AKDM4CKDM5BHDAC1
SCHEMBL14188347 0.82 MAPKAPK2 (0.50) MAPKAPK2ALDH1A1MAPT
SCHEMBL14215576 0.82 MAPKAPK2 (0.59) MAPKAPK2KDM5AKDM4CKDM5BABL1
Trifluoroacetic Acid SCHEMBL4718586 0.81 MAPKAPK2 (0.52) MAPKAPK2MARS1PTPN1ASIC1MAPT

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 MAPKAPK2 2/4885LOXL2 2696/4885KDM5A 2279/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPKAPK2 1/4885LOXL2 2307/4885KDM5A 2859/4885

“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.