Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6794064

CC(C)(C)c1ccc(-c2cc3c(cc2O)CCc2c-3nn(CCCN)c2C(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.33
PDPK1 O15530 1/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.32
OPRD1 P41143 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KCNK3 O14649 1/20 0.31
TRPM2 O94759 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
BRAF P15056 1/20 0.30
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30

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 SCHEMBL6793455 0.91 KDM1A (0.36) PDPK1CDK2PLK1OPRD1BRAF
Trifluoroacetic Acid SCHEMBL6794225 0.90 PDPK1 (0.35) PDPK1CDK2PLK1OPRD1
Trifluoroacetic Acid SCHEMBL6791711 0.90 BRAF (0.38) PDPK1CDK2PLK1OPRD1BRAF
Trifluoroacetic Acid SCHEMBL6791782 0.89 PDPK1 (0.33) PDPK1CDK2PLK1OPRD1BRAF
Trifluoroacetic Acid SCHEMBL1655702 0.88 KDM1A (0.39) PDPK1CDK2OPRD1AKR1C3AKR1C2
Trifluoroacetic Acid SCHEMBL1655235 0.87 CDK2 (0.37) NR1H4PDPK1CDK2PLK1KDM5A
SCHEMBL6794069 0.87 PLK1 (0.33) PDPK1CDK2PLK1
Trifluoroacetic Acid SCHEMBL1655968 0.87 MPL (0.39) PDPK1CDK2PLK1KCNK3AKR1C3
Trifluoroacetic Acid SCHEMBL6792278 0.86 RORC (0.36) PDPK1CDK2OPRD1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6792875 0.86 GABRA1 (0.34) PDPK1CDK2PLK1OPRD1

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

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 NR1H4 1969/4885PDPK1 87/4885CDK2 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.