SCHEMBL5998220

SCHEMBL5998220

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2nccs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 9/20 0.53
▸ UQCRB P14927 2/20 0.53
▸ HSD17B2 P37059 1/20 0.53
▸ GRM4 Q14833 1/20 0.52
▸ GLO1 Q04760 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ BDKRB1 P46663 3/20 0.47
▸ PSD A5PKW4 1/20 0.46
▸ TRPV1 Q8NER1 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
SCHEMBL10248358 0.87 GRM4 (0.56) GRM4GLO1KDM4EALDH1A1BDKRB1
SCHEMBL344138 0.85 CCR9 (0.71) CCR9HSD17B2
SCHEMBL1037932 0.76 HSD17B2 (0.66) CCR9UQCRBHSD17B2GLO1KDM4E
SCHEMBL7587850 0.74 HSD17B2 (0.79) UQCRBHSD17B2GLO1KDM4EALDH1A1
SCHEMBL2747919 0.71 LMNA (0.74) CCR9UQCRBHSD17B2ALDH1A1PSD
SCHEMBL2747439 0.70 ACLY (0.60) CCR9UQCRBHSD17B2ALDH1A1CA1
SCHEMBL10249380 0.70 CCR9 (1.00) CCR9
SCHEMBL16574547 0.69 CCR9 (0.61) CCR9UQCRBGLO1
SCHEMBL344136 0.69 CCR9 (0.79) CCR9
SCHEMBL344320 0.69 CCR9 (0.79) CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111351-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2006-05-25 — — 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 (1 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-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885UQCRB 4711/4885HSD17B2 3426/4885

“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.

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