SCHEMBL2294029

SCHEMBL2294029

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
GAA P10253 1/20 0.39
KCNA5 P22460 5/20 0.39
KCNH2 Q12809 5/20 0.39
CYP2C9 P11712 1/20 0.39
KCNA3 P22001 1/20 0.39
CACNA1D Q01668 1/20 0.39
KCNA1 Q09470 1/20 0.39
KCND3 Q9UK17 1/20 0.39
MAPK1 P28482 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL2296357 1.00 GRM2 (0.43) GRM2KMT2AMEN1CYP3A4L3MBTL1
SCHEMBL2294175 0.90 HPGD (0.41) GRM2KMT2AMEN1ALDH1A1MMP1
SCHEMBL5504625 0.90 HPGD (0.41) GRM2KMT2AMEN1ALDH1A1MMP1
SCHEMBL81663 0.90 HPGD (0.41) GRM2KMT2AMEN1ALDH1A1MMP1
SCHEMBL2294328 0.87 KMT2A (0.43) GRM2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2291582 0.87 KMT2A (0.43) GRM2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2293140 0.86 KMT2A (0.50) GRM2KMT2AMEN1CYP3A4L3MBTL1
SCHEMBL2290463 0.86 KMT2A (0.50) GRM2KMT2AMEN1CYP3A4L3MBTL1
SCHEMBL2296381 0.86 GAA (0.43) GRM2CYP3A4CYP2C19ALDH1A1MMP1
SCHEMBL2291127 0.86 GAA (0.43) GRM2CYP3A4CYP2C19ALDH1A1MMP1

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 GRM2 1252/4885KMT2A 1798/4885MEN1 1671/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GRM2 1252/4885KMT2A 1798/4885MEN1 1671/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GRM2 1252/4885KMT2A 1798/4885MEN1 1671/4885

“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.