SCHEMBL947731

SCHEMBL947731

O=C(O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
F10 P00742 12/20 0.54
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PPARG P37231 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL7010156 0.91 PPARG (0.52) ALDH1A1F10HTTPPARG
SCHEMBL7013159 0.90 PPARG (0.51) ALDH1A1F10HTTPPARG
SCHEMBL949128 0.88 F10 (0.54) ALDH1A1F10HTTKDM4EHPGD
SCHEMBL7016777 0.87 PPARG (0.51) ALDH1A1F10HTTPPARGKDM4E
SCHEMBL8283278 0.86 F10 (0.53) ALDH1A1F10HTTKDM4EHPGD
SCHEMBL7826055 0.84 ALDH1A1 (0.68) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL7017091 0.84 MMP2 (0.49) ALDH1A1F10HTTPPARGKDM4E
SCHEMBL1940753 0.83 HSD11B1 (0.63) ALDH1A1HTTNPSR1KDM4E
SCHEMBL7009093 0.82 CA2 (0.49) ALDH1A1F10HTTKDM4E
SCHEMBL948719 0.81 ALDH1A1 (0.56) ALDH1A1HTTNPSR1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US claimed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP claimed
EP-2208726-B1 Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL (JP) 2014-08-20 EP disclosed
US-8697865-B2 Cyclic amide derivative, and its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2208726-A1 Cyclic amide derivatives, and their production and use as antithrombotic agents Takeda Pharmaceutical Company Limited (JP) 2010-07-21 EP disclosed
US-7745623-B2 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-29 US disclosed
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-7534887-B2 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-20080255362-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080255352-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20070244118-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-10-18 US disclosed
EP-1748985-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS Takeda Pharmaceutical Company Limited (JP) 2007-02-07 EP disclosed
US-20070010528-A1 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1669352-A1 THIAZOLINE DERIVATIVE AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2006-06-14 EP disclosed
WO-2005113504-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-01 WO disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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 (8 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-20080255352-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, F2 ALDH1A1 1792/4885F10 224/4885HTT 1682/4885
US-20070010528-A1 Thiazoline derivative and use of the same TBXA2R, F2, F3 ALDH1A1 2163/4885F10 90/4885HTT 1126/4885
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 ALDH1A1 2246/4885F10 545/4885HTT 1774/4885
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE CNR1, CNR2, ARG1 ALDH1A1 1720/4885F10 305/4885HTT 3226/4885
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH ALDH1A1 4317/4885F10 717/4885HTT 864/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885F10 490/4885HTT 2246/4885
US-20070244118-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, CNR2 ALDH1A1 1873/4885F10 232/4885HTT 1534/4885
US-20080255362-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, F2 ALDH1A1 1792/4885F10 224/4885HTT 1682/4885

“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.