SCHEMBL1014623

SCHEMBL1014623

CCSc1cccc(S(=O)(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(OC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.47
TGFBR1 P36897 4/20 0.43
ALOX12 P18054 1/20 0.42
STS P08842 3/20 0.41
SFRP1 Q8N474 2/20 0.41
GPR119 Q8TDV5 2/20 0.41
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 1/20 0.40
USP30 Q70CQ3 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL1014796 0.90 STS (0.42) PDE4BTGFBR1ALOX12STSSFRP1
SCHEMBL1015948 0.87 STS (0.55) PDE4BTGFBR1ALOX12STSSFRP1
SCHEMBL1012382 0.85 PDE4B (0.51) PDE4BTGFBR1ALOX12STSSFRP1
SCHEMBL1012808 0.85 PDE4B (0.51) PDE4BTGFBR1ALOX12STSSFRP1
SCHEMBL1012384 0.85 PDE4B (0.51) PDE4BTGFBR1ALOX12STSSFRP1
SCHEMBL3961512 0.83 DRD2 (0.37) MEN1KMT2A
SCHEMBL13210945 0.81 HTR6 (0.38) SFRP1MEN1KMT2A
SCHEMBL13230096 0.80 PDE4B (0.42) PDE4BTGFBR1ALOX12STSGPR119
SCHEMBL1015211 0.79 PDE4B (0.46) PDE4BTGFBR1ALOX12STSSFRP1
SCHEMBL1015807 0.77 GPR119 (0.45) PDE4BTGFBR1ALOX12STSSFRP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
EP-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO 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-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HTR6, HTR1B, HTR1F PDE4B 1026/4885TGFBR1 3794/4885ALOX12 3220/4885

“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.