SCHEMBL6800328

SCHEMBL6800328

CN(c1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2)S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.55
CCNA2 P20248 8/20 0.55
CDK2 P24941 8/20 0.55
CCNA1 P78396 8/20 0.55
AURKA O14965 1/20 0.48
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46

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
SCHEMBL5334053 0.83 CCNA2 (0.62) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL6791456 0.83 CCNA2 (0.62) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL5343708 0.83 IKBKB (0.57) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL5335768 0.81 IKBKB (0.57) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL5335359 0.80 CCNA2 (0.58) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL5338436 0.79 IKBKB (0.55) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL5347307 0.79 CCNA2 (0.63) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL5333595 0.78 IKBKB (0.55) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL5339056 0.78 IKBKB (0.54) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL5338246 0.78 IKBKB (0.54) IKBKBCCNA2CDK2CCNA1AURKA

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 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 IKBKB 634/4885CCNA2 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.