SCHEMBL11930652

SCHEMBL11930652

Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccc[n+]([O-])c2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 4/20 0.58
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 5/20 0.47
HTT P42858 2/20 0.47
FFAR4 Q5NUL3 1/20 0.46
MCL1 Q07820 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
METAP2 P50579 2/20 0.43

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
SCHEMBL10247932 0.90 CCR9 (0.64) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930672 0.87 ALDH1A1 (0.51) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL12909350 0.86 ALDH1A1 (0.50) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930661 0.81 ALDH1A1 (0.49) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930656 0.81 CCR9 (0.57) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930669 0.80 ALDH1A1 (0.56) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11930659 0.79 CCR9 (0.56) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL345001 0.78 CCR9 (0.76) CCR9LMNAHTTTP53MAPT
SCHEMBL11930671 0.78 CCR9 (0.60) CCR9ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL10247996 0.78 METAP2 (0.55) CCR9ALDH1A1HPGDCYP1A2HSD17B10

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.