SCHEMBL1180685

SCHEMBL1180685

Cn1cnc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 6/20 0.50
▸ F13A1 P00488 5/20 0.50
▸ LMNA P02545 3/20 0.50
▸ TGM1 P22735 3/20 0.50
▸ PKM P14618 1/20 0.50
▸ MAPT P10636 1/20 0.48
▸ POLB P06746 1/20 0.47

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
SCHEMBL14837788 0.80 TGM2 (0.47) TGM2F13A1TGM1
SCHEMBL16990306 0.77 TGM2 (0.52) TGM2F13A1TGM1
SCHEMBL7136242 0.76 POLB (0.53) LMNAMAPTPOLB
SCHEMBL16032223 0.76 NAMPT (0.44) LMNAMAPTPOLB
SCHEMBL14837774 0.76 TGM2 (0.48) TGM2F13A1TGM1
SCHEMBL11945569 0.76 TGM2 (0.49) TGM2F13A1TGM1POLB
SCHEMBL4447626 0.74 TGM2 (0.49) TGM2F13A1LMNATGM1MAPT
SCHEMBL18410584 0.74 TGM2 (0.65) TGM2F13A1TGM1PKMPOLB
SCHEMBL2731874 0.73 CHRM2 (0.44) POLB
SCHEMBL1487081 0.73 USP2 (0.53) TGM2F13A1TGM1

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 19 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-9045445-B2 Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 — — US disclosed
US-9045445-B2 Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 — — US disclosed
US-9045445-B2 Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 — — US 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
EP-2575815-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF Albany Molecular Research, Inc. (US) 2013-04-10 — — EP 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-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-22 — — US disclosed
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-22 — — US disclosed
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-22 — — US disclosed
WO-2011153359-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-08 — — WO 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
CN-101600720-A Phosphoinositide 3-kinase inhibitor compounds and using method HOFFMANN LA ROCHE (CH) 2009-12-09 — — CN 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 (4 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 TGM2 2850/4885F13A1 1901/4885LMNA 1065/4885
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF SLC6A5, SLC7A1, AGXT TGM2 145/4885F13A1 1813/4885LMNA 3501/4885
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 TGM2 1467/4885F13A1 3545/4885LMNA 791/4885
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA TGM2 2850/4885F13A1 1901/4885LMNA 1065/4885

“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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