SCHEMBL2616498

SCHEMBL2616498

C=C(c1cc[n+]([O-])cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 18/20 0.79
CCR2 P41597 1/20 0.79
HSD17B2 P37059 2/20 0.56

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
Vercirnon SCHEMBL342225 0.88 CCR9 (1.00) CCR9CCR2HSD17B2
Vercirnon SCHEMBL15766988 0.88 CCR9 (0.98) CCR9CCR2HSD17B2
SCHEMBL10241675 0.87 CCR9 (0.60) CCR9CCR2
Vercirnon SCHEMBL15766572 0.84 CCR9 (0.90) CCR9CCR2
SCHEMBL345005 0.82 CCR9 (0.80) CCR9CCR2HSD17B2
SCHEMBL345093 0.80 CCR9 (0.68) CCR9CCR2HSD17B2
SCHEMBL15761702 0.80 CCR9 (0.84) CCR9CCR2HSD17B2
SCHEMBL15802910 0.80 CCR9 (0.84) CCR9CCR2HSD17B2
SCHEMBL2167857 0.80 CCR9 (0.80) CCR9CCR2HSD17B2
SCHEMBL344364 0.79 CCR9 (0.78) CCR9CCR2HSD17B2

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
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-7932252-B2 CCR9 chemokine receptor modulators; treating inflammatory and immune diseases; inhibit the binding of chemokines, such as TECK (thymus-expressed chemokine), to the CCR9 receptor; 1-arylsulfonamido-2-aryl(alkyl)benzene compounds CHEMOCENTRYX, INC. (US) 2011-04-26 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 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 (3 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-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885CCR2 1/4885HSD17B2 1750/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 CCR9 13/4885CCR2 1/4885HSD17B2 1750/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885CCR2 1/4885HSD17B2 1750/4885

“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.