Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6792940

CCCCOc1ccc(S(=O)(=O)NCCCn2nc3c(c2C(=O)O)CCc2cnccc2-3)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.39
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
HTT P42858 4/20 0.36
TSHR P16473 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
LMNA P02545 5/20 0.34

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
SCHEMBL6792946 0.90 CCNA2 (0.37) PTGESCCNA2CDK2CCNA1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6797949 0.88 PTGES (0.39) PTGESCCNA2CDK2CCNA1HTR7
Trifluoroacetic Acid SCHEMBL6799124 0.87 PTGES (0.40) PTGESSMN1; SMN2HTTTSHRCYP1A2
Trifluoroacetic Acid SCHEMBL1655632 0.87 LMNA (0.38) CCNA2CDK2CCNA1SMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL6787710 0.85 PTGES (0.38) PTGESCCNA2CDK2CCNA1LMNA
Trifluoroacetic Acid SCHEMBL6792435 0.85 PTGES (0.35) PTGESCCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL1655186 0.83 KDM4C (0.34) CDK2CYP1A2CYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL6792947 0.82 CYP1A2 (0.38) CCNA2CDK2CCNA1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL6793121 0.81 ALDH1A1 (0.40) PTGESTSHRCYP2C9LMNAALDH1A1
SCHEMBL1655472 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HTTTSHRTP53LMNA

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 1542/4885CCNA2 270/4885CDK2 29/4885

“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.