SCHEMBL2616417

SCHEMBL2616417

Cc1ccc(NS(=O)(=O)c2ccccc2)c(C(C)(C)C)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.62
HSD17B2 P37059 2/20 0.56
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
FFAR4 Q5NUL3 1/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NOD2 Q9HC29 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
MCOLN3 Q8TDD5 1/20 0.50

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
SCHEMBL2616416 0.89 METAP2 (0.57) METAP2HSD17B2KEAP1NFE2L2FFAR4
SCHEMBL7579963 0.83 METAP2 (0.69) METAP2KEAP1NFE2L2FFAR4ALDH1A1
SCHEMBL10224268 0.83 ALDH1A1 (0.57) HSD17B2KEAP1ALDH1A1LMNAMAPT
SCHEMBL2616424 0.82 METAP2 (0.63) METAP2KEAP1NFE2L2FFAR4ALDH1A1
SCHEMBL578654 0.82 FFAR4 (0.68) METAP2KEAP1NFE2L2FFAR4ALDH1A1
SCHEMBL6807990 0.79 HSD17B2 (0.69) METAP2HSD17B2KEAP1NFE2L2FFAR4
SCHEMBL2766342 0.79 METAP2 (0.64) METAP2KEAP1NFE2L2FFAR4ALDH1A1
SCHEMBL4675817 0.79 HTR6 (0.43) METAP2FFAR4ALDH1A1POLBL3MBTL1
SCHEMBL13240438 0.79 HSD17B2 (0.49) METAP2HSD17B2FFAR4ALDH1A1MAPT
SCHEMBL2616443 0.78 METAP2 (0.62) METAP2KEAP1NFE2L2FFAR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-7932252-B2 CCR9 chemokine receptor modulators; treating inflammatory and immune diseases; inhibit the binding of chemokines, such as TECK (thymus-expressed chemokine), to the CCR9 receptor; 1-arylsulfonamido-2-aryl(alkyl)benzene compounds CHEMOCENTRYX, INC. (US) 2011-04-26 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 (2 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-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 METAP2 2202/4885HSD17B2 1750/4885KEAP1 843/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 METAP2 2202/4885HSD17B2 1750/4885KEAP1 843/4885

“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.