SCHEMBL189729

SCHEMBL189729

CC(C)(C)OC(=O)N1CCCN(S(C)(=O)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.48
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR119 Q8TDV5 2/20 0.44
MAPT P10636 1/20 0.44
TGM2 P21980 7/20 0.43
F13A1 P00488 5/20 0.43
TGM1 P22735 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
EPHX1 P07099 1/20 0.42
STS P08842 1/20 0.42

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
SCHEMBL56379 0.93 USP2 (0.53) HPGDUSP2SMN1; SMN2GPR119TGM2
SCHEMBL24693743 0.87 MEN1 (0.52) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL1487171 0.87 MEN1 (0.49) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL22567334 0.85 GPR119 (0.59) MEN1KMT2ASMN1; SMN2GPR119MAPT
SCHEMBL16612394 0.84 USP2 (0.62) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL861278 0.82 USP2 (0.64) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL27902866 0.81 HPGD (0.58) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL6765665 0.81 SMN1; SMN2 (0.60) MEN1KMT2AHPGDUSP2SMN1; SMN2
Iodide SCHEMBL15174787 0.80 USP2 (0.62) MEN1KMT2AHPGDUSP2SMN1; SMN2
Methyl Alcohol SCHEMBL27463839 0.80 USP2 (0.62) MEN1KMT2AHPGDUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 US disclosed
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 US disclosed
EP-2402347-A1 Pharmaceutical compounds F. Hoffmann-La Roche AG (CH) 2012-01-04 EP disclosed
EP-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP disclosed
EP-2041139-A2 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-01 EP disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 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-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB MEN1 1933/4885KMT2A 964/4885HPGD 2422/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 MEN1 1137/4885KMT2A 4014/4885HPGD 1123/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 MEN1 1137/4885KMT2A 4014/4885HPGD 1123/4885

“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.