SCHEMBL25079568

SCHEMBL25079568

O=C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC(Nc5ccc(C(F)(F)F)cc5)CC4)cc3)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.60
SMYD3 Q9H7B4 3/20 0.54
CCR6 P51684 3/20 0.53
CCNK O75909 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK12 Q9NYV4 1/20 0.49
KIF11 P52732 2/20 0.49
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL30284876 1.00 GAA (0.60) GAASMYD3CCR6CCNKCCNA2
SCHEMBL30284727 0.88 CCR6 (0.71) GAASMYD3CCR6CCNKCCNA2
SCHEMBL25079860 0.88 CCR6 (0.71) GAASMYD3CCR6CCNKCCNA2
SCHEMBL26461185 0.87 SMYD3 (0.58) GAASMYD3CCR6MAPT
SCHEMBL30284834 0.82 CCR6 (0.70) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079815 0.82 CCR6 (0.70) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079573 0.82 KIF11 (0.50) GAASMYD3CDK2KIF11
SCHEMBL30284829 0.81 CCR6 (0.71) GAACCR6CCNKCCNA2CDK2
SCHEMBL25079843 0.81 CCR6 (0.71) GAACCR6CCNKCCNA2CDK2
SCHEMBL25079310 0.80 CCR6 (0.61) GAASMYD3CCR6CCNKCCNA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019735-A Arylsulfonyl compounds as CCR6 inhibitors 坎莫森特里克斯公司 2024-05-10 CN disclosed
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-04-27 US disclosed
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-04-27 US disclosed
WO-2023023534-A2 ARYL SULFONYL COMPOUNDS AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 WO 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-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CCR6, CCR1, CCR3 GAA 506/4885SMYD3 2765/4885CCR6 1/4885

“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.