Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6794900

NCCCn1nc2c(c1C(=O)O)CCc1cc(O)c(-c3cccc(Cl)c3)cc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.34
PTGIR P43119 1/20 0.34
PTGDR Q13258 1/20 0.34
PDPK1 O15530 1/20 0.33
CDK2 P24941 1/20 0.33
ATM Q13315 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32
MAP4K4 O95819 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
OPRD1 P41143 1/20 0.31
KDM1A O60341 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 SCHEMBL6792278 0.91 RORC (0.36) RORCPDPK1CDK2NPC1RAB9A
Trifluoroacetic Acid SCHEMBL6792875 0.91 GABRA1 (0.34) RORCPDPK1CDK2OPRD1
Trifluoroacetic Acid SCHEMBL6793455 0.91 KDM1A (0.36) RORCPDPK1CDK2MAP4K4OPRD1
Trifluoroacetic Acid SCHEMBL6791782 0.89 PDPK1 (0.33) RORCPDPK1CDK2OPRD1
Trifluoroacetic Acid SCHEMBL1658162 0.88 KCNK3 (0.37)
Trifluoroacetic Acid SCHEMBL6799698 0.87 NPC1 (0.36) PDPK1CDK2NPC1RAB9APARP1
Trifluoroacetic Acid SCHEMBL1656588 0.87 GABRA1 (0.37) PDPK1CDK2ALDH1A1KDM1A
SCHEMBL6794903 0.87 PTGIR (0.35) RORCPTGIRPTGDRPDPK1CDK2
Trifluoroacetic Acid SCHEMBL6794890 0.87 RORC (0.36) RORCPDPK1CDK2ALDH1A1OPRD1
Trifluoroacetic Acid SCHEMBL6791711 0.86 BRAF (0.38) PDPK1CDK2L3MBTL1MAP4K4OPRD1

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 RORC 1054/4885PTGIR 865/4885PTGDR 661/4885

“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.