Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4715091

NCCCn1nc(-c2cccc(O)c2)cc1C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
MAPKAPK2 P49137 1/20 0.43
CSNK1D P48730 1/20 0.41
PTGER1 P34995 1/20 0.41
TRPV4 Q9HBA0 1/20 0.39
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CHEK1 O14757 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 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
SCHEMBL14188462 0.93 GABRA1 (0.53) GABRA1GABRB2MAPKAPK2CSNK1DPTGER1
SCHEMBL4715089 0.84 GABRA1 (0.43) GABRA1GABRB2MAPKAPK2CSNK1DPTGER1
SCHEMBL4996115 0.82 MAPKAPK2 (0.41) GABRA1GABRB2MAPKAPK2TRPV4GABRP
SCHEMBL4716100 0.80 GABRA1 (0.48) GABRA1GABRB2MAPKAPK2GABRPGABRD
SCHEMBL27639060 0.79 MAPKAPK2 (0.67) GABRA1GABRB2MAPKAPK2PTGER1AKR1C3
Hydrochloric Acid SCHEMBL4717533 0.79 GABRA1 (0.47) GABRA1GABRB2MAPKAPK2GABRPGABRD
Trifluoroacetic Acid SCHEMBL4718586 0.76 MAPKAPK2 (0.52) MAPKAPK2GRNSORT1
SCHEMBL5000205 0.75 MAPKAPK2 (0.50) GABRA1GABRB2MAPKAPK2GABRPGABRD
SCHEMBL14188353 0.75 MAPKAPK2 (0.58) GABRA1GABRB2MAPKAPK2PDE4B
Hydrochloric Acid SCHEMBL4718376 0.74 MAPKAPK2 (0.57) GABRA1GABRB2MAPKAPK2PDE4B

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 6 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
CN-1747949-A Acyclic pyrazole compounds PHARMACIA CORP (US) 2006-03-15 CN 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.