Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6793121

Cc1ccc(S(=O)(=O)NC(=O)NCCCn2nc3c(c2C(=O)O)CCc2cnccc2-3)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGES O14684 3/20 0.40
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FBP1 P09467 5/20 0.33
NLRP3 Q96P20 1/20 0.33
KCNA1 Q09470 1/20 0.32
KCNAB1 Q14722 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
SCHEMBL6793127 0.89 ALDH1A1 (0.39) ALDH1A1LMNAALBCYP2C9TSHR
Trifluoroacetic Acid SCHEMBL6792947 0.85 CYP1A2 (0.38) CYP2C9MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6791540 0.83 CYP1A2 (0.34) CYP2C9
Trifluoroacetic Acid SCHEMBL6793508 0.83 CDK4 (0.33) CYP2C9
Trifluoroacetic Acid SCHEMBL4267640 0.82 CCNA2 (0.32) ALDH1A1LMNAPTGESMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6799124 0.82 PTGES (0.40) ALDH1A1LMNATSHRTDP1PTGES
Trifluoroacetic Acid SCHEMBL6795264 0.82 NPC1 (0.39) CYP2C9TSHRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL1655691 0.82 CDK2 (0.32) CYP2C9TSHR
Trifluoroacetic Acid SCHEMBL6790792 0.82 KDM4E (0.33) ALDH1A1
Trifluoroacetic Acid SCHEMBL6797949 0.81 PTGES (0.39) PTGES

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 ALDH1A1 4449/4885LMNA 4286/4885ALB 4160/4885

“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.