Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6792947

CCCCNC(=O)NCCCn1nc2c(c1C(=O)O)CCc1cnccc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NAMPT P43490 2/20 0.36
KDM4C Q9H3R0 2/20 0.33
KDM6B O15054 1/20 0.33
ATM Q13315 2/20 0.33
TLR9 Q9NR96 1/20 0.33
APAF1 O14727 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK2 P24941 3/20 0.31
CCNA2 P20248 2/20 0.31
PDPK1 O15530 1/20 0.31
CCNA1 P78396 1/20 0.31
HDAC3 O15379 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL1655186 0.91 KDM4C (0.34) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
Trifluoroacetic Acid SCHEMBL6791540 0.91 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
Trifluoroacetic Acid SCHEMBL6790792 0.89 KDM4E (0.33) HPGDNAMPTCDK2PDPK1
Trifluoroacetic Acid SCHEMBL6793508 0.89 CDK4 (0.33) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
Trifluoroacetic Acid SCHEMBL6795264 0.88 NPC1 (0.39) CYP1A2CYP2C9CYP2C19NAMPTMEN1
Trifluoroacetic Acid SCHEMBL1655691 0.88 CDK2 (0.32) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL6792951 0.88 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
Trifluoroacetic Acid SCHEMBL6800586 0.87 NAMPT (0.44) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
Trifluoroacetic Acid SCHEMBL6792435 0.85 PTGES (0.35) CDK2CCNA2PDPK1CCNA1
Trifluoroacetic Acid SCHEMBL6793121 0.85 ALDH1A1 (0.40) CYP2C9MEN1KMT2A

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 CYP1A2 1087/4885CYP3A4 2152/4885CYP2C9 1505/4885

“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.