Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6799124

CC(=O)Nc1ccc(S(=O)(=O)NCCCn2nc3c(c2C(=O)O)CCc2cnccc2-3)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
POLB P06746 2/20 0.39
NAMPT P43490 4/20 0.39
MAPT P10636 1/20 0.39
F2 P00734 1/20 0.38
ADRB2 P07550 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
IDO1 P14902 1/20 0.35
USP2 O75604 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
SCHEMBL6799128 0.89 NAMPT (0.39) POLBNAMPTMAPTADRB2ALDH1A1
Trifluoroacetic Acid SCHEMBL6792940 0.87 PTGES (0.39) PTGESALDH1A1MEN1KMT2ACYP1A2
Trifluoroacetic Acid SCHEMBL6792435 0.86 PTGES (0.35) PTGES
Trifluoroacetic Acid SCHEMBL6788878 0.84 PTGES (0.33) PTGESALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6787710 0.83 PTGES (0.38) PTGESPOLBALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6793379 0.83 SLC6A9 (0.35) PTGESALDH1A1KMT2ALMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6793121 0.82 ALDH1A1 (0.40) PTGESALDH1A1MEN1KMT2ANPSR1
Trifluoroacetic Acid SCHEMBL6791540 0.81 CYP1A2 (0.34) POLBNAMPTCYP1A2CYP2C19KDM4E
Trifluoroacetic Acid SCHEMBL6793644 0.81 CDK2 (0.36) ALDH1A1CYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL1656626 0.81 CDK2 (0.34)

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 PTGES 1542/4885POLB 2849/4885NAMPT 658/4885

“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.