Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6793949

COc1ccc(-c2cc3c(cn2)CCc2c-3nn(CCCN)c2C(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.41
ASIC1 P78348 2/20 0.37
CDK2 P24941 4/20 0.36
CCNA2 P20248 3/20 0.36
CCNA1 P78396 3/20 0.36
AURKA O14965 2/20 0.36
PLK1 P53350 2/20 0.36
PDPK1 O15530 1/20 0.36
HSD17B10 Q99714 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
GABRA1 P14867 1/20 0.35
ALOX15 P16050 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

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 SCHEMBL4267655 0.91 CDK2 (0.38) CDK2CCNA2CCNA1AURKAPLK1
Trifluoroacetic Acid SCHEMBL1655235 0.90 CDK2 (0.37) MAPKAPK2CDK2CCNA2CCNA1AURKA
Trifluoroacetic Acid SCHEMBL4260275 0.90 CDK2 (0.38) MAPKAPK2CDK2CCNA2CCNA1AURKA
SCHEMBL6793952 0.89 MAPKAPK2 (0.40) MAPKAPK2CDK2CCNA2CCNA1AURKA
Trifluoroacetic Acid SCHEMBL4264447 0.88 CDK2 (0.37) MAPKAPK2CDK2CCNA2CCNA1AURKA
Trifluoroacetic Acid SCHEMBL4444665 0.87 CDK2 (0.41) MAPKAPK2CDK2CCNA2CCNA1AURKA
Trifluoroacetic Acid SCHEMBL1658124 0.87 CDK2 (0.37) MAPKAPK2CDK2CCNA2CCNA1AURKA
Trifluoroacetic Acid SCHEMBL4270474 0.86 CDK2 (0.39) CDK2CCNA2CCNA1AURKAPLK1
Trifluoroacetic Acid SCHEMBL6793062 0.84 GABRP (0.39) MAPKAPK2CDK2PLK1PDPK1GABRP
Trifluoroacetic Acid SCHEMBL6794531 0.84 KMO (0.39) CDK2CCNA2CCNA1PLK1PDPK1

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 MAPKAPK2 2/4885ASIC1 3515/4885CDK2 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.