Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6794890

NCCCn1nc2c(c1C(=O)O)CCc1cc(O)c(-c3ccccc3Cl)cc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.36
PDPK1 O15530 1/20 0.36
CDK2 P24941 1/20 0.36
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
S1PR1 P21453 1/20 0.32
OPRD1 P41143 1/20 0.32
CYP2C9 P11712 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
KDM1A O60341 1/20 0.31
KIF11 P52732 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 SCHEMBL6793455 0.87 KDM1A (0.36) RORCPDPK1CDK2OPRD1AVPR2
SCHEMBL6794891 0.87 RORC (0.34) RORCPDPK1CDK2MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL6794900 0.87 RORC (0.34) RORCPDPK1CDK2ALDH1A1OPRD1
Trifluoroacetic Acid SCHEMBL6787805 0.85 CDK2 (0.36) RORCPDPK1CDK2HCAR2S1PR1
Trifluoroacetic Acid SCHEMBL6791711 0.84 BRAF (0.38) PDPK1CDK2OPRD1KDM1A
Trifluoroacetic Acid SCHEMBL6792875 0.84 GABRA1 (0.34) RORCPDPK1CDK2S1PR1OPRD1
Trifluoroacetic Acid SCHEMBL6792278 0.84 RORC (0.36) RORCPDPK1CDK2S1PR1OPRD1
Trifluoroacetic Acid SCHEMBL6791782 0.84 PDPK1 (0.33) RORCPDPK1CDK2OPRD1
Trifluoroacetic Acid SCHEMBL1655968 0.83 MPL (0.39) PDPK1CDK2S1PR1KDM1A
Trifluoroacetic Acid SCHEMBL6794064 0.83 NR1H4 (0.33) PDPK1CDK2OPRD1

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.