SCHEMBL961058

SCHEMBL961058

CN(C)CCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.43
GPR119 Q8TDV5 7/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
F13A1 P00488 4/20 0.39
TGM1 P22735 1/20 0.39
HPGD P15428 1/20 0.39
KDM1A O60341 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38

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
SCHEMBL6196618 0.85 USP2 (0.44) TGM2GPR119USP2SMN1; SMN2F13A1
SCHEMBL30183473 0.83 USP2 (0.43) TGM2GPR119USP2SMN1; SMN2F13A1
SCHEMBL4551353 0.83 USP2 (0.43) TGM2GPR119USP2SMN1; SMN2GAA
SCHEMBL960091 0.83 GPR119 (0.43) TGM2GPR119USP2SMN1; SMN2F13A1
SCHEMBL5214356 0.83 USP2 (0.43) TGM2GPR119USP2SMN1; SMN2F13A1
SCHEMBL7527689 0.82 USP2 (0.42) TGM2GPR119USP2SMN1; SMN2GAA
SCHEMBL2253618 0.81 SMN1; SMN2 (0.46) TGM2USP2SMN1; SMN2GAAF13A1
SCHEMBL2249760 0.81 USP2 (0.51) TGM2USP2SMN1; SMN2GAAF13A1
SCHEMBL26113743 0.80 USP2 (0.45) TGM2GPR119USP2SMN1; SMN2F13A1
Hydrochloric Acid SCHEMBL12501570 0.79 USP2 (0.44) TGM2GPR119USP2SMN1; SMN2F13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812446-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-11-18 EP disclosed
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US disclosed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US disclosed
US-7872003-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2011-01-18 US disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
EP-2032582-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
US-20080207609-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
EP-1812446-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046040-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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-20120283257-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, PIK3R5 TGM2 3035/4885GPR119 77/4885USP2 4236/4885
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB TGM2 2939/4885GPR119 263/4885USP2 3569/4885
US-20080207609-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 TGM2 3188/4885GPR119 35/4885USP2 4431/4885

“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.