SCHEMBL10249481

SCHEMBL10249481

C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[n+]([O-])c3)cc2)C[C@H](C)O1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
CCR9 P51686 18/20 0.51
CCR2 P41597 1/20 0.51
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL343652 0.91 CCR9 (0.64) LMNAHTTCCR9CCR2TP53
SCHEMBL343789 0.88 CCR9 (0.46) LMNAHTTCCR9CCR2TP53
SCHEMBL13816000 0.87 CCR9 (0.54) LMNAHTTCCR9CCR2TP53
SCHEMBL10249336 0.86 CCR9 (0.62) LMNAHTTCCR9CCR2TP53
SCHEMBL10249458 0.86 CCR9 (0.55) LMNAHTTCCR9CCR2TP53
SCHEMBL344254 0.85 CCR9 (0.71) LMNAHTTCCR9TP53MAPT
SCHEMBL344253 0.85 CCR9 (0.71) LMNAHTTCCR9TP53MAPT
SCHEMBL342106 0.84 CCR9 (0.66) LMNAHTTCCR9TP53MAPT
SCHEMBL342107 0.84 CCR9 (0.66) LMNAHTTCCR9TP53MAPT
SCHEMBL344507 0.82 CCR9 (0.69) LMNAHTTCCR9TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 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 (4 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-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 LMNA 4484/4885HTT 2647/4885CCR9 1/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 LMNA 4484/4885HTT 2647/4885CCR9 1/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 LMNA 4484/4885HTT 2647/4885CCR9 1/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 LMNA 4484/4885HTT 2647/4885CCR9 1/4885

“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.