SCHEMBL6792282

SCHEMBL6792282

NCCCn1nc2c(c1C(=O)O)CCc1cc(OC(=O)C(F)(F)F)c(-c3cccc(C(=O)O)c3)cc1-2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
EIF4EBP1 Q13541 15/20 0.34
PDPK1 O15530 1/20 0.32
CDK2 P24941 1/20 0.32
PLK1 P53350 1/20 0.31
PTGER1 P34995 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
SCHEMBL6792883 0.92 PLK1 (0.33) PDPK1CDK2PLK1
SCHEMBL1655969 0.92 S1PR1 (0.37) PDPK1CDK2PLK1
SCHEMBL6794903 0.92 PTGIR (0.35) RORCEIF4EBP1PDPK1CDK2PLK1
SCHEMBL1658164 0.89 PTGDR2 (0.37)
SCHEMBL6791786 0.89 PLK1 (0.32) PDPK1CDK2PLK1
SCHEMBL6799702 0.89 PTGDR2 (0.32) PDPK1CDK2PLK1PTGER1
SCHEMBL1656590 0.89 GABRA1 (0.35) PDPK1CDK2PLK1
SCHEMBL6791714 0.88 BRAF (0.36) PDPK1CDK2PLK1
SCHEMBL6793459 0.87 PTGDR2 (0.33) RORCPDPK1CDK2PLK1
Trifluoroacetic Acid SCHEMBL6792278 0.87 RORC (0.36) RORCPDPK1CDK2

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 1054/4885EIF4EBP1 545/4885PDPK1 87/4885

“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.