SCHEMBL2296879

SCHEMBL2296879

O=C1CO[C@@H](c2ccc(OS(=O)(=O)c3ccccc3)cc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
ENPP3 O14638 4/20 0.39
ENPP1 P22413 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ENPP2 Q13822 3/20 0.39
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL2293187 1.00 MAOB (0.45) MAOBTDP1ALDH1A1NPC1RAB9A
SCHEMBL2294738 0.88 ALDH1A1 (0.49) ALDH1A1ENPP3ENPP1MEN1KMT2A
SCHEMBL2294885 0.88 ALDH1A1 (0.49) ALDH1A1ENPP3ENPP1MEN1KMT2A
SCHEMBL2294130 0.82 PRKAB2 (0.40) MAOBALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL2295147 0.82 PRKAB2 (0.40) MAOBALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL2296884 0.80 HTR6 (0.44) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2293193 0.80 HTR6 (0.44) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4485789 0.79 PRKAB2 (0.47) MAOBPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4485781 0.79 PRKAB2 (0.47) MAOBPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2299358 0.76 MAOB (0.59) MAOB

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 9 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
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 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 (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 MAOB 653/4885TDP1 659/4885ALDH1A1 1251/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAOB 653/4885TDP1 659/4885ALDH1A1 1251/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAOB 653/4885TDP1 659/4885ALDH1A1 1251/4885

“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.