Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6799698

CS(=O)(=O)c1cccc(-c2cc3c(cc2O)CCc2c-3nn(CCCN)c2C(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSP90AA1 P07900 5/20 0.34
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
HSP90B1 P14625 2/20 0.32
TRAP1 Q12931 2/20 0.32
KLKB1 P03952 1/20 0.32
KCNK3 O14649 1/20 0.32
PDPK1 O15530 1/20 0.32
CDK2 P24941 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
PARP1 P09874 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MCTS1 Q9ULC4 1/20 0.32
NTRK1 P04629 1/20 0.31
MET P08581 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 SCHEMBL6794711 0.89 NPC1 (0.39) NPC1RAB9ADPP4DPP7DPP8
SCHEMBL6799702 0.88 PTGDR2 (0.32) NPC1RAB9AKLKB1KCNK3PDPK1
Trifluoroacetic Acid SCHEMBL6792278 0.88 RORC (0.36) NPC1RAB9ADPP4DPP7PDPK1
Trifluoroacetic Acid SCHEMBL6792875 0.88 GABRA1 (0.34) PDPK1CDK2S1PR1S1PR3OPRD1
Trifluoroacetic Acid SCHEMBL1655968 0.87 MPL (0.39) KCNK3PDPK1CDK2S1PR1
Trifluoroacetic Acid SCHEMBL6794900 0.87 RORC (0.34) NPC1RAB9APDPK1CDK2PARP1
Trifluoroacetic Acid SCHEMBL1658162 0.85 KCNK3 (0.37) KCNK3
Trifluoroacetic Acid SCHEMBL6791782 0.85 PDPK1 (0.33) PDPK1CDK2OPRD1
Trifluoroacetic Acid SCHEMBL1656588 0.85 GABRA1 (0.37) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL6794064 0.84 NR1H4 (0.33) KCNK3PDPK1CDK2OPRD1

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 NPC1 4242/4885RAB9A 2148/4885HSP90AA1 936/4885

“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.