SCHEMBL2294328

SCHEMBL2294328

COc1ccc(CN2C[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)OCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CNR2 P34972 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
MMP1 P03956 3/20 0.40
MMP2 P08253 3/20 0.40
MMP3 P08254 3/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
GRM2 Q14416 1/20 0.40
LMNA P02545 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MMP7 P09237 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL2291582 1.00 KMT2A (0.43) KMT2AMEN1CNR2KDM4EMAPT
SCHEMBL2296066 0.93 TDP1 (0.42) CNR2GRM2PDE4APDE4BPDE4C
SCHEMBL2293903 0.93 TDP1 (0.42) CNR2GRM2PDE4APDE4BPDE4C
SCHEMBL4613221 0.91 KDM4E (0.43) KMT2AMEN1CNR2KDM4EMAPT
SCHEMBL2291127 0.91 GAA (0.43) MAPTGAAMMP1MMP9GRM2
SCHEMBL2296381 0.91 GAA (0.43) MAPTGAAMMP1MMP9GRM2
SCHEMBL2295340 0.88 ALDH1A1 (0.42) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2291329 0.88 ALDH1A1 (0.42) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2296357 0.87 GRM2 (0.43) KMT2AMEN1GAAMMP1GRM2
SCHEMBL2294029 0.87 GRM2 (0.43) KMT2AMEN1GAAMMP1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 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 (3 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MEN1 1671/4885CNR2 4163/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MEN1 1671/4885CNR2 4163/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MEN1 1671/4885CNR2 4163/4885

“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.