Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6792793

CCOC(=O)c1c2c(nn1CCNC(=O)CO)-c1ccncc1CC2.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND3 P30281 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK6 Q00534 1/20 0.37
ROCK2 O75116 1/20 0.33
BRAF P15056 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
TSHR P16473 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
TRPM2 O94759 1/20 0.33
ELANE P08246 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6792783 0.89 CDK4 (0.35) CDK2CDK4CCNA2CCND3CCNA1
Trifluoroacetic Acid SCHEMBL1655691 0.84 CDK2 (0.32) CDK2CCNA2CCNA1ROCK2TSHR
SCHEMBL6794857 0.83 CYP11B1 (0.38) CDK2CDK4CCNA2CCND3CCNA1
Trifluoroacetic Acid SCHEMBL6788639 0.83 ALDH1A1 (0.39) CDK2CDK4CCNA2CCND3CCNA1
Hydrochloric Acid SCHEMBL6787345 0.83 ROCK2 (0.32) CDK2ROCK2NAMPTAURKA
SCHEMBL1655698 0.82 CYP1A2 (0.30) HPGD
Trifluoroacetic Acid SCHEMBL6791540 0.80 CYP1A2 (0.34) CDK2KDM4EHPGDNAMPTMAPK1
SCHEMBL6792630 0.80 KDM4E (0.38) CDK2CDK4CCNA2CCND3CCNA1
Trifluoroacetic Acid SCHEMBL6793066 0.79 ROCK2 (0.38) CDK2CDK4CCNA2CCND3CCNA1
Hydrochloric Acid SCHEMBL6793245 0.79 CCNA2 (0.37) CDK2CDK4CCNA2CCND3CCNA1

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 CDK2 29/4885CDK4 154/4885CCNA2 270/4885

“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.