SCHEMBL11937065

SCHEMBL11937065

CC(C)(C)c1ccc(SNc2ccc(Cl)cc2C(=O)c2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 11/20 0.52
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SERPINE1 P05121 1/20 0.42
▸ AGTR1 P30556 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL11938270 0.87 CCR9 (0.68) CCR9NPC1GAARAB9ASERPINE1
SCHEMBL14034607 0.87 CCR9 (0.50) CCR9SERPINE1CCR2
SCHEMBL11938271 0.84 CCR9 (0.45) CCR9SERPINE1CCR2GRM5
SCHEMBL11937175 0.81 CCR9 (0.55) CCR9SERPINE1CCR2
SCHEMBL344320 0.80 CCR9 (0.79) CCR9CCR2
SCHEMBL11938267 0.80 CCR9 (0.55) CCR9SERPINE1CCR2
SCHEMBL11936670 0.78 CCR9 (0.48) CCR9SERPINE1CCR2
SCHEMBL15906618 0.78 CCR9 (0.61) CCR9NPC1GAARAB9AKMT2A
SCHEMBL11937067 0.78 CCR9 (0.57) CCR9SERPINE1CCR2
SCHEMBL10284624 0.77 CCR9 (0.51) CCR9SERPINE1CCR2

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 4 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-20110021523-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2011-01-27 — — US disclosed
US-20090270616-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC (US) 2009-10-29 — — 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-20090270616-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885NPC1 1062/4885GAA 2519/4885
US-20110021523-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885NPC1 1062/4885GAA 2519/4885
US-20080293717-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885NPC1 1062/4885GAA 2519/4885

“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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