SCHEMBL25079907

SCHEMBL25079907

N#Cc1n[nH]c2ccc(-c3ccc(S(=O)(=O)N4CCC(Nc5ccc(C(F)(F)F)cc5)CC4)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 7/20 0.52
CDK2 P24941 4/20 0.46
CCNA2 P20248 3/20 0.46
CCNK O75909 2/20 0.46
CDK12 Q9NYV4 2/20 0.46
JAK2 O60674 1/20 0.44
GAA P10253 1/20 0.43
HTR6 P50406 2/20 0.42
EPHX2 P34913 1/20 0.42
CCNE1 P24864 1/20 0.42
FLT3 P36888 1/20 0.42
EPHX1 P07099 1/20 0.42
CNR1 P21554 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL25079785 0.90 CCR6 (0.65) CCR6CDK2CCNA2CCNKCDK12
SCHEMBL30284751 0.90 CCR6 (0.65) CCR6CDK2CCNA2CCNKCDK12
SCHEMBL31155642 0.89 CCR6 (0.49) CCR6CDK2CCNA2JAK2EPHX2
SCHEMBL25079908 0.83 DYRK1A (0.38) CCR6HTR6
SCHEMBL26461196 0.80 CCR6 (0.60) CCR6CDK2CCNA2CCNKCDK12
SCHEMBL25079508 0.79 CCR6 (0.54) CCR6CDK2CCNA2CCNKCDK12
SCHEMBL30284931 0.77 CCR6 (0.69) CCR6CDK2CCNA2CCNKCDK12
SCHEMBL30284815 0.77 CCR6 (0.69) CCR6CDK2CCNA2CCNKCDK12
SCHEMBL25079712 0.77 CCR6 (0.69) CCR6CDK2CCNA2CCNKCDK12
SCHEMBL25079894 0.77 CCR6 (0.69) CCR6CDK2CCNA2CCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387965-A2 ARYL SULFONYL COMPOUNDS AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 EP disclosed
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
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 CCR6 1/4885CDK2 549/4885CCNA2 2911/4885

“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.