SCHEMBL1180780

SCHEMBL1180780

COC(=O)CS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ STS P08842 7/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ GPR119 Q8TDV5 5/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL1514778 0.84 EPHX1 (0.52) EPHX1HPGDSTSGPR119RECQL
SCHEMBL1181413 0.82 HPGD (0.45) EPHX1HPGDSTSGPR119RECQL
SCHEMBL16497005 0.80 HPGD (0.48) EPHX1HPGDSTSGPR119RECQL
SCHEMBL406820 0.80 HPGD (0.48) EPHX1HPGDSTSGPR119RECQL
SCHEMBL21798128 0.79 PIK3CD (0.41) EPHX1HPGDSTSALDH1A1GPR119
SCHEMBL1088787 0.78 GPR119 (0.46) EPHX1HPGDSTSALDH1A1GPR119
SCHEMBL32667629 0.78 HPGD (0.51) EPHX1HPGDSTSALDH1A1GPR119
SCHEMBL15477857 0.78 HPGD (0.46) EPHX1HPGDSTSGPR119RECQL
SCHEMBL189924 0.77 RECQL (0.55) EPHX1HPGDSTSGPR119RECQL
Methane SCHEMBL28121361 0.77 HPGD (0.54) EPHX1HPGDSTSGPR119RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518074-B1 Phosphoinositide 3-kinase inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2015-07-22 — — EP disclosed
US-8993563-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-31 — — US disclosed
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-05-23 — — US disclosed
US-8383620-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-02-26 — — US disclosed
EP-2518074-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2012-10-31 — — EP disclosed
US-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-04-28 — — US disclosed
US-7888352-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIRAMED LIMITED (GB) 2011-02-15 — — US disclosed
EP-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 — — EP disclosed
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 — — US disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 — — 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 (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-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA EPHX1 2447/4885HPGD 2797/4885STS 1469/4885
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; PI4KA, DMPK, PDPK1 EPHX1 2733/4885HPGD 3214/4885STS 1793/4885
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA EPHX1 2447/4885HPGD 2797/4885STS 1469/4885

“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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