SCHEMBL26527123

SCHEMBL26527123

O=C1Nc2ncc(-c3ccc(S(=O)(=O)N4CC[C@@H](Nc5ccc(C(F)(F)F)cn5)[C@@H](O)C4)cc3)cc2C12CC2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 16/20 0.51
▸ CCNK O75909 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CDK12 Q9NYV4 1/20 0.48
▸ CCR7 P32248 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CXCR3 P49682 1/20 0.36
▸ F13A1 P00488 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ TGM1 P22735 1/20 0.35

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
SCHEMBL26526137 0.97 CCR6 (0.49) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082879 0.91 CCR6 (0.45) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL26461000 0.88 CCR6 (0.67) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30284864 0.88 CCR6 (0.67) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30201842 0.83 CCR6 (0.56) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL26094659 0.83 CCR6 (0.56) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30284901 0.83 CCR6 (0.62) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL26461008 0.83 CCR6 (0.62) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL26523978 0.83 CCR6 (0.51) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30202156 0.83 CCR6 (0.53) CCR6CCNKCCNA2CDK2CDK12

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-20230133406-A1 Aryl Sulfonyl (Hydroxy) Piperidines as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-05-04 — — 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-20230133406-A1 Aryl Sulfonyl (Hydroxy) Piperidines as CCR6 Inhibitors CCR6, CCR1, CCR4 CCR6 1/4885CCNK 3333/4885CCNA2 2153/4885

“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.

Send feedback