SCHEMBL10247933

SCHEMBL10247933

Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2ccc(C)[n+]([O-])c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 8/20 0.64
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
METAP2 P50579 3/20 0.53
CYP2C9 P11712 1/20 0.47
CCR2 P41597 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
SCHEMBL11930656 0.89 CCR9 (0.57) CCR9LMNAHTTTP53MAPT
SCHEMBL10248298 0.85 LMNA (0.56) CCR9LMNAHTTTP53MAPT
SCHEMBL342238 0.83 CCR9 (0.75) CCR9LMNAHTTTP53MAPT
SCHEMBL343363 0.83 CCR9 (0.75) CCR9LMNAHTTTP53MAPT
SCHEMBL12220857 0.81 LMNA (0.81) CCR9LMNAHTTTP53MAPT
SCHEMBL344242 0.81 CCR9 (0.73) CCR9LMNAHTTTP53MAPT
SCHEMBL10247932 0.80 CCR9 (0.64) CCR9LMNAHTTTP53MAPT
SCHEMBL13693182 0.80 CCR9 (0.70) CCR9LMNAHTTTP53MAPT
SCHEMBL10248004 0.79 CCR9 (0.71) CCR9LMNAHTTTP53MAPT
SCHEMBL343179 0.78 CCR9 (1.00) CCR9LMNAHTTTP53MAPT

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 CCR9 1/4885LMNA 4484/4885HTT 2647/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885HTT 2647/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885HTT 2647/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885HTT 2647/4885

“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.