SCHEMBL6422746

SCHEMBL6422746

CCOC(=O)N1CCC(N(c2ccccc2)S(=O)(=O)c2cccc3c(C(=O)NC4CCCCC4C)cccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 12/20 0.53
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
TAS1R2 Q8TE23 4/20 0.41
CHRM1 P11229 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1337653 0.84 CCR8 (0.72) CCR8
SCHEMBL1341325 0.78 CCR8 (0.68) CCR8
SCHEMBL6416838 0.75 CCR8 (0.59) CCR8
SCHEMBL6423843 0.75 CCR8 (0.55) CCR8ALDH1A1
SCHEMBL1338776 0.74 CCR8 (0.59) CCR8TAS1R3TAS1R1TAS1R2
SCHEMBL1341332 0.73 CCR8 (0.90) CCR8MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL1339809 0.73 CCR8 (0.58) CCR8
SCHEMBL12129697 0.72 CCR8 (0.82) CCR8MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL1338895 0.72 CCR8 (0.57) CCR8TAS1R3TAS1R1TAS1R2
SCHEMBL6250476 0.72 CCR8 (0.49) CCR8MEN1KMT2A

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-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2005-04-21 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-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 CCR8 1/4885TAS1R3 280/4885TAS1R1 209/4885

“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.