SCHEMBL2923486

SCHEMBL2923486

CCOC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GSTO1 P78417 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
PIN1 Q13526 1/20 0.35
PPID Q08752 1/20 0.35

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
SCHEMBL2921603 0.85 NPSR1 (0.39) SMN1; SMN2L3MBTL1GSTO1NPSR1MEN1
SCHEMBL2928884 0.78 SMN1; SMN2 (0.43) SMN1; SMN2NFKB1NFKB2RELANPSR1
SCHEMBL13248101 0.77 NFKB1 (0.37) SMN1; SMN2L3MBTL1CYP4F2CYP4A11NFKB1
SCHEMBL29265680 0.77 P2RX3 (0.37) SMN1; SMN2L3MBTL1CYP4F2CYP4A11NFKB1
SCHEMBL3058381 0.77 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1NFKB1NFKB2RELA
SCHEMBL31439848 0.76 ADRA2C (0.40) SMN1; SMN2L3MBTL1NPSR1MEN1NPC1
SCHEMBL4837483 0.76 KDM4E (0.50) SMN1; SMN2L3MBTL1NPSR1MEN1HTT
SCHEMBL4840210 0.75 POLB (0.46) SMN1; SMN2MEN1KMT2AGAAPOLB
SCHEMBL31439932 0.75 PDK2 (0.38) SMN1; SMN2L3MBTL1NPSR1MEN1NPC1
SCHEMBL14587288 0.75 NPSR1 (0.37) SMN1; SMN2L3MBTL1GSTO1NPSR1MEN1

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
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
EP-2225253-B1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-27 EP disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US disclosed
EP-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 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 (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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 SMN1; SMN2 3459/4885L3MBTL1 4239/4885CYP4F2 3122/4885

“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.