SCHEMBL4393938

SCHEMBL4393938

N#Cc1cccc(C(ON=C2CCN(S(=O)(=O)c3ccc(NC4CCCC4)nc3)CC2)C2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 14/20 0.47
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL4387316 0.97 CCR6 (0.47) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL4377019 0.86 TRPV4 (0.36) CCR6CCNA2CDK2GAAMAPT
SCHEMBL4395263 0.86 POLB (0.41) CCR6CCNA2CDK2LMNAGAA
SCHEMBL8217724 0.85 CCR6 (0.46) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL4382730 0.78 MEN1 (0.42) CCR6GAAEPHX2
SCHEMBL4380375 0.70 CCR6 (0.45) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL4395449 0.68 CCR6 (0.49) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL8222252 0.65 KMT2A (0.53) LMNAGAAMAPTEPHX2
SCHEMBL8210456 0.65 CCR6 (0.53) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL4395257 0.65 CYP11B1 (0.43) LMNA

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 CCR6 2413/4885CCNA2 2430/4885CDK2 1229/4885

“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.