SCHEMBL2294979

SCHEMBL2294979

O=S(=O)(Oc1ccc([C@@H](O)CNCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ADRB3 P13945 2/20 0.50
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLA2G1B P04054 1/20 0.43
POLB P06746 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
ENPP3 O14638 3/20 0.43
ENPP1 P22413 3/20 0.43
ENPP2 Q13822 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC16A3 O15427 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2295367 1.00 LMNA (0.50) LMNAADRB3TDP1KDM4EL3MBTL1
SCHEMBL27711200 1.00 LMNA (0.50) LMNAADRB3TDP1KDM4EL3MBTL1
SCHEMBL27711265 0.92 ADRB3 (0.55) LMNAADRB3TDP1KDM4EGAA
SCHEMBL2296089 0.92 ADRB3 (0.55) LMNAADRB3TDP1KDM4EGAA
SCHEMBL2295915 0.92 ADRB3 (0.48) LMNAADRB3L3MBTL1POLBENPP3
SCHEMBL2294923 0.92 ADRB3 (0.55) LMNAADRB3TDP1KDM4EGAA
SCHEMBL2292784 0.92 ADRB3 (0.48) LMNAADRB3L3MBTL1POLBENPP3
SCHEMBL2295324 0.88 KDM4E (0.57) ADRB3TDP1KDM4EGAASMN1; SMN2
SCHEMBL2291814 0.88 KDM4E (0.57) ADRB3TDP1KDM4EGAASMN1; SMN2
SCHEMBL2294869 0.86 TDP1 (0.47) LMNAADRB3TDP1KDM4EL3MBTL1

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 11 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
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN 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
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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 LMNA 3268/4885ADRB3 1845/4885TDP1 659/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 LMNA 3268/4885ADRB3 1845/4885TDP1 659/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 LMNA 3268/4885ADRB3 1845/4885TDP1 659/4885

“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.