SCHEMBL1018269

SCHEMBL1018269

CC(C)(C)OC(=O)N1C[C@H](CO)[C@@H](CO[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
PDE4B Q07343 2/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 1/20 0.35
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
GLS O94925 2/20 0.33

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
SCHEMBL2929277 1.00 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2RECQL
SCHEMBL16096256 1.00 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2RECQL
SCHEMBL17841916 0.89 NR1H2 (0.43) NR1H2PDE4BUSP2SMN1; SMN2RECQL
SCHEMBL14805516 0.89 PDE4B (0.43) NR1H2PDE4BUSP2SMN1; SMN2RECQL
SCHEMBL14801559 0.89 PDE4B (0.43) NR1H2PDE4BUSP2SMN1; SMN2RECQL
SCHEMBL30455847 0.88 NR1H2 (0.43) NR1H2PDE4BUSP2SMN1; SMN2RECQL
SCHEMBL30639852 0.85 NR1H2 (0.42) NR1H2PDE4BUSP2SMN1; SMN2RECQL
SCHEMBL16862541 0.85 NR1H2 (0.39) NR1H2PDE4BUSP2SMN1; SMN2RECQL
SCHEMBL21906217 0.85 NR1H2 (0.31) NR1H2
SCHEMBL17841925 0.84 NR1H2 (0.41) NR1H2PDE4BUSP2SMN1; SMN2RECQL

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-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 EP disclosed
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 NR1H2 531/4885PDE4B 3578/4885USP2 2685/4885
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS NR1H2 4568/4885PDE4B 814/4885USP2 4431/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS NR1H2 4568/4885PDE4B 814/4885USP2 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.