SCHEMBL11930656

SCHEMBL11930656

Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccc(C)[n+]([O-])c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
CYP1A2 P05177 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LMNA P02545 5/20 0.52
HTT P42858 4/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C9 P11712 2/20 0.49
GAA P10253 2/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
METAP2 P50579 1/20 0.44
MCL1 Q07820 1/20 0.43
CYP2C19 P33261 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL10247933 0.89 CCR9 (0.64) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL12909349 0.85 ALDH1A1 (0.54) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930669 0.85 ALDH1A1 (0.56) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930652 0.81 CCR9 (0.58) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930658 0.79 CCR9 (0.64) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930672 0.79 ALDH1A1 (0.51) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930673 0.79 ALDH1A1 (0.56) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930665 0.78 ALDH1A1 (0.50) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL343363 0.78 CCR9 (0.75) CCR9LMNAHTTMAPTTP53
SCHEMBL342238 0.78 CCR9 (0.75) CCR9LMNAHTTMAPTTP53

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-8211896-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2012-07-03 US disclosed
US-20090270616-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC (US) 2009-10-29 US disclosed
US-7582661-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2009-09-01 US disclosed
US-20090118307-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-05-07 US disclosed
US-20080293717-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2008-11-27 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-20090118307-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885ALDH1A1 1655/4885HPGD 3897/4885
US-20090270616-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885ALDH1A1 1655/4885HPGD 3897/4885
US-20080293717-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885ALDH1A1 1655/4885HPGD 3897/4885

“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.