SCHEMBL2197772

SCHEMBL2197772

CCOC(=O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.37
UCHL1 P09936 1/20 0.34
FKBP1A P62942 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NR1H2 P55055 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
PIK3CD O00329 1/20 0.33
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GLA P06280 2/20 0.31
PPM1D O15297 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL18612435 1.00 P2RX3 (0.37) P2RX3UCHL1FKBP1AMEN1KMT2A
SCHEMBL23008569 1.00 P2RX3 (0.37) P2RX3UCHL1FKBP1AMEN1KMT2A
SCHEMBL4776880 0.91 FKBP1A (0.39) P2RX3FKBP1AMEN1KMT2ACYP1A2
SCHEMBL29548437 0.89 UCHL1 (0.37) P2RX3UCHL1NR1H2CYP1A2POLB
SCHEMBL7456999 0.86 P2RX3 (0.40) P2RX3UCHL1NR1H2CYP1A2POLB
SCHEMBL142967 0.86 P2RX3 (0.40) P2RX3UCHL1NR1H2CYP1A2POLB
SCHEMBL2387781 0.86 P2RX3 (0.40) P2RX3UCHL1NR1H2CYP1A2POLB
SCHEMBL1269514 0.86 P2RX3 (0.40) P2RX3UCHL1NR1H2CYP1A2POLB
SCHEMBL24826391 0.86 P2RX3 (0.40) P2RX3UCHL1NR1H2CYP1A2POLB
SCHEMBL1269513 0.86 P2RX3 (0.40) P2RX3UCHL1NR1H2CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US disclosed
EP-1912994-A1 ADENINE DERIVATIVES Merck Patent GmbH (DE) 2008-04-23 EP disclosed
WO-2007017069-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-15 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 (1 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-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 P2RX3 184/4885UCHL1 4715/4885FKBP1A 480/4885

“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.