Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6792875

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

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
PDPK1 O15530 1/20 0.34
CDK2 P24941 1/20 0.34
PLK1 P53350 1/20 0.31
OPRD1 P41143 1/20 0.31
RORC P51449 1/20 0.31
MCL1 Q07820 1/20 0.31
S1PR1 P21453 3/20 0.30
S1PR3 Q99500 2/20 0.30
BACE1 P56817 1/20 0.30
CSNK1D P48730 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 SCHEMBL6792278 0.92 RORC (0.36) PDPK1CDK2OPRD1RORCS1PR1
Trifluoroacetic Acid SCHEMBL6794900 0.91 RORC (0.34) PDPK1CDK2OPRD1RORC
Trifluoroacetic Acid SCHEMBL1655968 0.91 MPL (0.39) PDPK1CDK2PLK1S1PR1
Trifluoroacetic Acid SCHEMBL1658162 0.89 KCNK3 (0.37)
Trifluoroacetic Acid SCHEMBL6791782 0.88 PDPK1 (0.33) PDPK1CDK2PLK1OPRD1RORC
Trifluoroacetic Acid SCHEMBL6799698 0.88 NPC1 (0.36) PDPK1CDK2OPRD1S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL1656588 0.88 GABRA1 (0.37) GABRA1GABRB2PDPK1CDK2BACE1
Trifluoroacetic Acid SCHEMBL6791711 0.87 BRAF (0.38) PDPK1CDK2PLK1OPRD1CSNK1D
SCHEMBL6792883 0.87 PLK1 (0.33) GABRA1GABRB2PDPK1CDK2PLK1
Trifluoroacetic Acid SCHEMBL6793455 0.86 KDM1A (0.36) PDPK1CDK2PLK1OPRD1RORC

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 GABRA1 3533/4885GABRB2 2582/4885PDPK1 87/4885

“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.