SCHEMBL21085265

SCHEMBL21085265

CON(c1cc(Cl)cnc1C(=O)c1cccc(N)n1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER2 P43116 6/20 0.34
CCR9 P51686 6/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
PIK3CD O00329 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
NR1I2 O75469 2/20 0.32

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
SCHEMBL305602 0.87 KEAP1 (0.36) TP53SMN1; SMN2PTGER2CCR9CA12
SCHEMBL14303616 0.83 CCR9 (0.30) CCR9
SCHEMBL306561 0.78 HSD17B2 (0.51) CCR9PIK3CD
SCHEMBL14310298 0.78 CCR9 (0.31) CCR9
SCHEMBL13455916 0.73 TRPM8 (0.33) TP53SMN1; SMN2PTGER2CCR9TRPM8
SCHEMBL14303218 0.72 CCR9 (0.33) CCR9PIK3CD
SCHEMBL10223574 0.68 HSD17B2 (0.52) CCR9
SCHEMBL10223070 0.67 CCR9 (0.47) CCR9PIK3CD
SCHEMBL308098 0.66 TRPM8 (0.42) TP53SMN1; SMN2CCR9TRPM8KEAP1
SCHEMBL1762607 0.66 CCR9 (0.48) CCR9

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-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 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-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 TP53 4185/4885SMN1; SMN2 1898/4885PTGER2 294/4885

“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.