SCHEMBL1014844

SCHEMBL1014844

COc1ccc(S(=O)(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.53
MMP1 P03956 5/20 0.51
MMP9 P14780 5/20 0.51
MMP13 P45452 4/20 0.51
MMP3 P08254 4/20 0.50
MMP7 P09237 4/20 0.50
HTT P42858 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MMP8 P22894 3/20 0.47
MMP2 P08253 2/20 0.47
TGFBR1 P36897 1/20 0.47
PDE4B Q07343 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1014709 0.87 MTNR1A (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL1015813 0.87 ALDH1A1 (0.47) STSALDH1A1PDE4BKDM4EGPR119
SCHEMBL12954783 0.86 GPR119 (0.46) STSTGFBR1PDE4BGPR119
SCHEMBL1015812 0.86 GPR119 (0.46) STSMMP1MMP9MMP13MMP3
SCHEMBL1018430 0.86 MMP1 (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL1015893 0.83 HTT (0.48) STSMMP1MMP9MMP13MMP3
SCHEMBL1015803 0.80 HTR6 (0.53) MMP13ALDH1A1MMP2KDM4ETSHR
SCHEMBL27393884 0.80 GPR119 (0.53) PDE4BMEN1KMT2AKDM4EGPR119
SCHEMBL13230242 0.78 PDE4B (0.41) STSMMP1MMP9MMP13MMP3
SCHEMBL1012382 0.78 PDE4B (0.51) STSALDH1A1TGFBR1PDE4BGPR119

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 6 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
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 STS 686/4885MMP1 3738/4885MMP9 3196/4885

“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.