SCHEMBL13664748

SCHEMBL13664748

CC(C)(C)c1ccc(SNc2ccc(F)c(F)c2C(=O)c2ccncc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 6/20 0.41
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KIF11 P52732 1/20 0.33

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
SCHEMBL342214 0.79 CCR9 (0.65) CCR9LMNAPOLB
SCHEMBL10252235 0.74 L3MBTL1 (0.42) GAARAB9ALTA4HKDM4ELMNA
SCHEMBL11938245 0.70 CCR9 (0.65) CCR9
SCHEMBL11303651 0.69 SRD5A2 (0.66) CCR9RAB9ALTA4HSRD5A2LMNA
SCHEMBL11938257 0.69 CCR9 (0.53) CCR9
SCHEMBL14034474 0.69 CCR9 (0.53) CCR9
SCHEMBL11937175 0.68 CCR9 (0.55) CCR9LMNA
SCHEMBL343825 0.67 ALDH1A1 (0.54) CCR9POLB
SCHEMBL11936670 0.67 CCR9 (0.48) CCR9LMNA
SCHEMBL14034607 0.67 CCR9 (0.50) CCR9LMNA

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-20090270616-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC (US) 2009-10-29 — — 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-20090270616-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885GAA 2519/4885RAB9A 1370/4885

“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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