SCHEMBL2921603

SCHEMBL2921603

CC(C)(C)OC(=O)N(CC(=O)O)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
AKT1 P31749 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 1/20 0.36
SSTR4 P31391 1/20 0.34
GSTO1 P78417 1/20 0.34

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
SCHEMBL2923486 0.85 SMN1; SMN2 (0.41) NPSR1MEN1KMT2ANPC1HTT
SCHEMBL1644746 0.84 TRPM8 (0.44) NPSR1MEN1KMT2ATDP1CYP2C19
SCHEMBL6257485 0.84 AKR1B1 (0.39) MEN1KMT2ATDP1AKT1CYP2C19
SCHEMBL4832911 0.83 LMNA (0.41) CTSSCTSKHTTTDP1KEAP1
SCHEMBL4832843 0.83 BCL2A1 (0.39) MEN1KMT2ATDP1CYP2C19SMN1; SMN2
SCHEMBL29943820 0.83 BCL2A1 (0.39) MEN1KMT2ATDP1CYP2C19SMN1; SMN2
SCHEMBL31439848 0.82 ADRA2C (0.40) NPSR1CTSSCTSKMEN1KMT2A
SCHEMBL4842133 0.82 SMN1; SMN2 (0.38) NPSR1TDP1KEAP1NFE2L2CYP2C19
SCHEMBL4841484 0.82 KMT2A (0.43) NPSR1MEN1KMT2AHTTTDP1
SCHEMBL4837304 0.81 TDP1 (0.35) NPSR1KMT2ATDP1AKT1CYP2C19

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 NPSR1 199/4885CTSS 4636/4885CTSK 4627/4885

“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.