Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6792278

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

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.36
PDPK1 O15530 1/20 0.34
CDK2 P24941 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRD1 P41143 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 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 SCHEMBL6792875 0.92 GABRA1 (0.34) RORCPDPK1CDK2OPRD1S1PR1
Trifluoroacetic Acid SCHEMBL1655968 0.91 MPL (0.39) PDPK1CDK2S1PR1
Trifluoroacetic Acid SCHEMBL6794900 0.91 RORC (0.34) RORCPDPK1CDK2L3MBTL1NPC1
Trifluoroacetic Acid SCHEMBL1658162 0.89 KCNK3 (0.37)
Trifluoroacetic Acid SCHEMBL6791782 0.88 PDPK1 (0.33) RORCPDPK1CDK2OPRD1HRH4
Trifluoroacetic Acid SCHEMBL6799698 0.88 NPC1 (0.36) PDPK1CDK2NPC1RAB9AOPRD1
Trifluoroacetic Acid SCHEMBL1656588 0.88 GABRA1 (0.37) PDPK1CDK2HDAC1
Trifluoroacetic Acid SCHEMBL6791711 0.87 BRAF (0.38) PDPK1CDK2L3MBTL1OPRD1HRH4
SCHEMBL6792282 0.87 RORC (0.34) RORCPDPK1CDK2
Trifluoroacetic Acid SCHEMBL6793455 0.86 KDM1A (0.36) RORCPDPK1CDK2OPRD1HRH4

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 1054/4885PDPK1 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.