SCHEMBL2631724

SCHEMBL2631724

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 13/20 0.49
CCR2 P41597 1/20 0.49
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B2 P37059 2/20 0.39
METAP2 P50579 1/20 0.37
APP P05067 1/20 0.36

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
SCHEMBL2616464 0.89 CCR9 (0.61) CCR9CCR2HSD17B2
SCHEMBL10241675 0.77 CCR9 (0.60) CCR9CCR2LMNAHTTTP53
SCHEMBL1631935 0.75 CCR9 (0.66) CCR9CCR2HSD17B2
SCHEMBL2629495 0.73 CCR9 (0.54) CCR9LMNAHTTTP53MAPT
SCHEMBL2616510 0.72 CCR9 (0.66) CCR9CCR2HSD17B2
SCHEMBL1630763 0.71 CCR9 (0.63) CCR9CCR2HSD17B2
SCHEMBL2616498 0.69 CCR9 (0.79) CCR9CCR2HSD17B2
Vercirnon SCHEMBL342225 0.66 CCR9 (1.00) CCR9CCR2LMNAHTTTP53
SCHEMBL345093 0.66 CCR9 (0.68) CCR9CCR2HSD17B2
Vercirnon SCHEMBL15766988 0.65 CCR9 (0.98) CCR9CCR2LMNAHTTTP53

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1/4885LMNA 4876/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885CCR2 1/4885LMNA 4876/4885

“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.