Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6795002

Cc1nccc2c1CCc1c-2nn2c1C(=O)NCCC2.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
SIGMAR1 Q99720 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
TIPARP Q7Z3E1 1/20 0.31
PARP16 Q8N5Y8 1/20 0.31
PARP11 Q9NR21 1/20 0.31
THRB P10828 2/20 0.31
TGFBR1 P36897 2/20 0.31
MAPK14 Q16539 2/20 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
SCHEMBL6797609 0.78 SIGMAR1 (0.36) SIGMAR1PARP10PARP11THRBTGFBR1
Trifluoroacetic Acid SCHEMBL6794758 0.76 KDM1A (0.34)
Trifluoroacetic Acid SCHEMBL6791557 0.73 MAPKAPK2 (0.33) PARP10PARP11
Trifluoroacetic Acid SCHEMBL6793152 0.72 GRM5 (0.31)
SCHEMBL4260846 0.71 SIGMAR1 (0.36) SIGMAR1PARP10PARP11
Trifluoroacetic Acid SCHEMBL4267636 0.71 AR (0.32) HRH4HRH3
Trifluoroacetic Acid SCHEMBL4270922 0.71 MAPKAPK2 (0.36)
SCHEMBL6791724 0.71 CNR1 (0.34) SIGMAR1PARP10PARP11THRBTGFBR1
Trifluoroacetic Acid SCHEMBL4260056 0.71 KDM1A (0.37)
Trifluoroacetic Acid SCHEMBL6794975 0.70 PIM1 (0.36)

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 1 patent. 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

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 SIGMAR1 4084/4885HRH4 2096/4885HRH3 1936/4885

“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.