SCHEMBL10284611

SCHEMBL10284611

CC(C)(C)c1ccc(SNc2ccc(Br)cc2C(=O)c2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 12/20 0.49
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KCNK2 O95069 1/20 0.37
▸ KCNK10 P57789 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL11936683 0.83 CCR9 (0.71) CCR9MAPTALDH1A1LMNAGAA
SCHEMBL11937066 0.82 CCR9 (0.67) CCR9MAPTALDH1A1LMNAKCNK2
SCHEMBL343780 0.79 CCR9 (0.78) CCR9
SCHEMBL14034474 0.77 CCR9 (0.53) CCR9SMN1; SMN2
SCHEMBL11938257 0.77 CCR9 (0.53) CCR9SMN1; SMN2
SCHEMBL11938245 0.76 CCR9 (0.65) CCR9SMN1; SMN2KCNK2KCNK10
SCHEMBL13664748 0.76 CCR9 (0.41) CCR9MAPTLMNAGAA
SCHEMBL11937175 0.75 CCR9 (0.55) CCR9LMNAHTTSMN1; SMN2
SCHEMBL11938267 0.74 CCR9 (0.55) CCR9LMNAHTTSMN1; SMN2
SCHEMBL11936670 0.72 CCR9 (0.48) CCR9LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 — — 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 (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-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885MAPT 4194/4885ALDH1A1 1655/4885
US-20080293717-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885MAPT 4194/4885ALDH1A1 1655/4885

“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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