Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6793385

CC(C)Cc1cc2c(cc1O)CCc1c-2nn(CCCN)c1C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
OPRD1 P41143 1/20 0.32
PDPK1 O15530 1/20 0.31
CDK2 P24941 1/20 0.31
PLK1 P53350 1/20 0.31
RORC P51449 1/20 0.30
HSP90AA1 P07900 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 SCHEMBL1655959 0.87 OPRD1 (0.34) OPRD1PDPK1CDK2
SCHEMBL6793386 0.86 PLK1 (0.32) S1PR1S1PR3PDPK1CDK2PLK1
Trifluoroacetic Acid SCHEMBL6787805 0.85 CDK2 (0.36) S1PR1S1PR3OPRD1PDPK1CDK2
Trifluoroacetic Acid SCHEMBL6788050 0.85 OPRD1 (0.32) OPRD1PDPK1CDK2
SCHEMBL5482684 0.84 PDPK1 (0.31) OPRD1PDPK1CDK2RORC
Trifluoroacetic Acid SCHEMBL6791782 0.83 PDPK1 (0.33) OPRD1PDPK1CDK2PLK1RORC
Trifluoroacetic Acid SCHEMBL4267112 0.83 KDM1A (0.33) OPRD1PDPK1CDK2PLK1RORC
Trifluoroacetic Acid SCHEMBL6794064 0.82 NR1H4 (0.33) OPRD1PDPK1CDK2PLK1
Trifluoroacetic Acid SCHEMBL6791711 0.82 BRAF (0.38) OPRD1PDPK1CDK2PLK1
Trifluoroacetic Acid SCHEMBL6793455 0.81 KDM1A (0.36) OPRD1PDPK1CDK2PLK1RORC

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 S1PR1 3083/4885S1PR3 2209/4885OPRD1 3185/4885

“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.