SCHEMBL6239277

SCHEMBL6239277

CCC(O)CNCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
PTPRC P08575 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
APLNR P35414 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL15391269 0.81 APLNR (0.38) CYP2D6PTPRCHDAC3HDAC1HDAC2
SCHEMBL26924263 0.81 CYP2D6 (0.42) CYP2D6PTPRCHDAC3HDAC1HDAC2
SCHEMBL26924266 0.81 CYP2D6 (0.42) CYP2D6PTPRCHDAC3HDAC1HDAC2
SCHEMBL23551450 0.80 CYP2D6 (0.38) CYP2D6PTPRCCTSKCA12CA2
SCHEMBL5189416 0.79 CYP2D6 (0.40) CYP2D6PTPRCCTSSCTSKCA12
SCHEMBL4331287 0.79 PTPRC (0.33) CYP2D6PTPRCCTSSCTSKCA12
SCHEMBL783009 0.78 CA2 (0.41) CYP2D6PTPRCCTSKCA12CA2
SCHEMBL30485492 0.78 CYP2D6 (0.39) CYP2D6PTPRCCTSKCA12CA2
SCHEMBL7277502 0.77 PTPRC (0.33) CYP2D6PTPRCKDM4ECTSSCTSK
SCHEMBL763067 0.77 CA12 (0.38) CYP2D6PTPRCCTSSCTSKCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539687-A1 SUBSTITUTED GLYCINE DERIVATIVES FOR USE AS MEDICAMENTS Pfizer Limited (GB) 2005-06-15 EP disclosed
US-20040092498-A1 Substituted glycine derivatives for use as medicaments BLAKEMORE DAVID (GB) 2004-05-13 US disclosed
WO-2004016583-A1 SUBSTITUTED GLYCINE DERIVATIVES FOR USE AS MEDICAMENTS PFIZER LIMITED (GB) 2004-02-26 WO disclosed
WO-2004016583-A1 SUBSTITUTED GLYCINE DERIVATIVES FOR USE AS MEDICAMENTS PFIZER LIMITED (GB) 2004-02-26 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-20040092498-A1 Substituted glycine derivatives for use as medicaments GLRA1, GRM1, GPR6 CYP2D6 122/4885PTPRC 1577/4885KDM4E 3580/4885

“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.