SCHEMBL10247932

SCHEMBL10247932

Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2ccc[n+]([O-])c2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 4/20 0.64
METAP2 P50579 3/20 0.55
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C9 P11712 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 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
SCHEMBL11930652 0.90 CCR9 (0.58) CCR9METAP2LMNAHTTCYP1A2
SCHEMBL10247996 0.86 METAP2 (0.55) CCR9METAP2LMNAHTTCYP1A2
SCHEMBL14064582 0.84 CCR9 (0.66) CCR9METAP2LMNAHTTCYP1A2
SCHEMBL345001 0.84 CCR9 (0.76) CCR9LMNAHTTTP53MAPT
SCHEMBL344106 0.82 CCR9 (0.73) CCR9LMNAHTTTP53MAPT
SCHEMBL344456 0.81 CCR9 (0.74) CCR9LMNAHTTTP53MAPT
SCHEMBL10247939 0.80 METAP2 (0.56) CCR9METAP2LMNAHTTCYP1A2
SCHEMBL10247933 0.80 CCR9 (0.64) CCR9METAP2LMNAHTTCYP1A2
SCHEMBL10248298 0.79 LMNA (0.56) CCR9METAP2LMNAHTTCYP1A2
SCHEMBL343133 0.79 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 1/4885METAP2 2329/4885LMNA 4484/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885METAP2 2329/4885LMNA 4484/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885METAP2 2329/4885LMNA 4484/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885METAP2 2329/4885LMNA 4484/4885

“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.