Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6793455

NCCCn1nc2c(c1C(=O)O)CCc1cc(O)c(-c3ccc(Cl)cc3)cc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
PDPK1 O15530 1/20 0.33
CDK2 P24941 1/20 0.33
OPRD1 P41143 1/20 0.32
DHODH Q02127 1/20 0.32
RORC P51449 1/20 0.32
PLK1 P53350 1/20 0.31
PRCP P42785 1/20 0.31
MAP4K4 O95819 1/20 0.31
MCHR1 Q99705 1/20 0.31
BRAF P15056 1/20 0.30
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30
MARS1 P56192 1/20 0.30
LTA4H P09960 1/20 0.30
KCNH2 Q12809 1/20 0.30
AVPR2 P30518 1/20 0.30
AVPR1A P37288 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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 SCHEMBL6791782 0.91 PDPK1 (0.33) PDPK1CDK2OPRD1RORCPLK1
Trifluoroacetic Acid SCHEMBL6794900 0.91 RORC (0.34) KDM1APDPK1CDK2OPRD1RORC
Trifluoroacetic Acid SCHEMBL6794064 0.91 NR1H4 (0.33) PDPK1CDK2OPRD1PLK1BRAF
Trifluoroacetic Acid SCHEMBL6791711 0.90 BRAF (0.38) KDM1APDPK1CDK2OPRD1PLK1
Trifluoroacetic Acid SCHEMBL6794225 0.89 PDPK1 (0.35) PDPK1CDK2OPRD1PLK1
Trifluoroacetic Acid SCHEMBL1655702 0.88 KDM1A (0.39) KDM1APDPK1CDK2OPRD1
Trifluoroacetic Acid SCHEMBL4267112 0.88 KDM1A (0.33) KDM1APDPK1CDK2OPRD1RORC
Trifluoroacetic Acid SCHEMBL6794890 0.87 RORC (0.36) KDM1APDPK1CDK2OPRD1RORC
SCHEMBL6793459 0.87 PTGDR2 (0.33) PDPK1CDK2RORCPLK1LTA4H
Trifluoroacetic Acid SCHEMBL6792875 0.86 GABRA1 (0.34) PDPK1CDK2OPRD1RORCPLK1

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 KDM1A 2843/4885PDPK1 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.