SCHEMBL2295327

SCHEMBL2295327

O=S(=O)(Oc1ccccc1[C@H](O)CNCCc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.46
ADRB3 P13945 10/20 0.46
ADRB1 P08588 6/20 0.46
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 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
SCHEMBL2291821 1.00 ADRB2 (0.46) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL2295374 0.88 ALDH1A1 (0.43) ADRB2ADRB3ADRB1ALDH1A1ANPEP
SCHEMBL2294985 0.88 ALDH1A1 (0.43) ADRB2ADRB3ADRB1ALDH1A1ANPEP
SCHEMBL2294875 0.84 ALDH1A1 (0.44) ADRB3KDM4EGAASMN1; SMN2TDP1
SCHEMBL2291484 0.84 ALDH1A1 (0.44) ADRB3KDM4EGAASMN1; SMN2TDP1
SCHEMBL2296924 0.81 ALDH1A1 (0.46) ADRB2ADRB1KDM4EGAASMN1; SMN2
SCHEMBL2296986 0.81 ALDH1A1 (0.46) ADRB2ADRB1KDM4EGAASMN1; SMN2
SCHEMBL2294975 0.81 ALDH1A1 (0.43) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL2297840 0.81 ALDH1A1 (0.43) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL2295324 0.81 KDM4E (0.57) ADRB2ADRB3ADRB1KDM4EGAA

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 ADRB2 1160/4885ADRB3 1845/4885ADRB1 845/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB2 1160/4885ADRB3 1845/4885ADRB1 845/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB2 1160/4885ADRB3 1845/4885ADRB1 845/4885

“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.