SCHEMBL641745

SCHEMBL641745

CN(C)c1ccccc1-c1ccc(C2CCCCC2)c(C2CCCCC2)c1P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.37
PTPN2 P17706 1/20 0.37
CAMKK2 Q96RR4 1/20 0.36
PTGS2 P35354 1/20 0.34
HTR6 P50406 1/20 0.32
SNCA P37840 1/20 0.32
PDK1 Q15118 1/20 0.32
NSD2 O96028 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2969965 0.81 PTGS2 (0.40) PTPN5PTPN2CAMKK2PTGS2HTR6
SCHEMBL27679150 0.80 PTPN5 (0.44) PTPN5PTPN2PTGS2SNCAPDK1
SCHEMBL788140 0.79 CAMKK2 (0.35) CAMKK2PTGS2HTR6NSD2ALDH1A1
SCHEMBL28167754 0.75 ABCB1 (0.42) PTPN5PTPN2ALDH1A1MAPTTDP1
SCHEMBL28855915 0.73 HTR1A (0.42) PTGS2HTR6MAPTKDM4E
SCHEMBL3857913 0.72 PTGS2 (0.43) PTPN5PTPN2CAMKK2PTGS2HTR6
SCHEMBL19643363 0.72 CA1 (0.36) PTPN5PTPN2CAMKK2NPC1RAB9A
SCHEMBL29732972 0.71 PTGS2 (0.40) PTPN5PTPN2CAMKK2PTGS2HTR6
SCHEMBL28005452 0.70 ROCK2 (0.39) PTPN5PTPN2L3MBTL1
SCHEMBL19182356 0.69 HTR1A (0.35) PTGS2HTR6NSD2ALDH1A1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119626-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-21 US disclosed
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF SUGAWARA KAZUTOSHI 2009-11-26 US disclosed
US-7514439-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-20080132479-A1 Oxime Derivative and Preparations Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-05 US disclosed
EP-1907387-A1 AN OXIME DERIVATIVE AND PREPARATIONS THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-09 EP disclosed
WO-2007007886-A1 AN OXIME DERIVATIVE AND PREPARATIONS THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-18 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 (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-20080132479-A1 Oxime Derivative and Preparations Thereof GCK, KHK, GCKR PTPN5 1328/4885PTPN2 1640/4885CAMKK2 885/4885
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF GCK, KHK, GCKR PTPN5 1328/4885PTPN2 1640/4885CAMKK2 885/4885

“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.