SCHEMBL6797954

SCHEMBL6797954

N#Cc1ccc(S(=O)(=O)NCCCn2nc3c(c2C(=O)OC(=O)C(F)(F)F)CCc2cnccc2-3)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.33
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
NAMPT P43490 3/20 0.32
SLC22A12 Q96S37 3/20 0.32

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 SCHEMBL6797949 0.89 PTGES (0.39) PTGESCCNA2CDK2CCNA1NAMPT
SCHEMBL6792946 0.89 CCNA2 (0.37) PTGESCCNA2CDK2CCNA1NAMPT
SCHEMBL6799128 0.88 NAMPT (0.39) CCNA2CDK2CCNA1NAMPT
SCHEMBL4262524 0.86 ROCK2 (0.33)
SCHEMBL6792445 0.86
SCHEMBL6795498 0.84 ROCK2 (0.32)
SCHEMBL6788882 0.84
SCHEMBL6787713 0.84 L3MBTL1 (0.36) CCNA2CDK2CCNA1
SCHEMBL6793383 0.83 SLC6A9 (0.34)
SCHEMBL6793127 0.82 ALDH1A1 (0.39) PTGES

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 PTGES 1542/4885CCNA2 270/4885CDK2 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.