SCHEMBL8558174

SCHEMBL8558174

CC(C)(C)OC(=O)CCC(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
GAA P10253 2/20 0.44
HRH3 Q9Y5N1 1/20 0.40
PTPRC P08575 2/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
STING1 Q86WV6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DGAT1 O75907 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2D6 P10635 1/20 0.34
TET2 Q6N021 1/20 0.33
MLYCD O95822 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL13143977 0.88 RECQL (0.47) RECQLGAAHRH3PTPRCTSHR
SCHEMBL22271612 0.86 RECQL (0.60) RECQLGAAHRH3EPHX2TDP1
SCHEMBL17232599 0.83 APLNR (0.42) RECQLTSHREPHX2CA12CA2
SCHEMBL644646 0.82 TSHR (0.45) GAATSHREPHX2CA12CA2
SCHEMBL8531447 0.81 TSHR (0.46) RECQLTSHREPHX2CA12CA2
SCHEMBL7095203 0.81 EPHX2 (0.41) RECQLEPHX2L3MBTL1CYP2D6
SCHEMBL19507391 0.81 RECQL (0.58) RECQLGAATSHREPHX2MEN1
SCHEMBL19471807 0.81 RECQL (0.69) RECQLGAAHRH3TSHREPHX2
SCHEMBL19750462 0.81 RECQL (0.44) RECQLGAAHRH3PTPRCCA2
SCHEMBL2842540 0.81 MEN1 (0.43) RECQLGAAHRH3PTPRCCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 US 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 (2 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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN RECQL 3177/4885GAA 585/4885HRH3 456/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME RECQL 2265/4885GAA 427/4885HRH3 476/4885

“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.