SCHEMBL2295374

SCHEMBL2295374

O=S(=O)(Oc1ccccc1[C@H](O)CNCc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
ADRB3 P13945 2/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 1/20 0.39
SLC16A3 O15427 1/20 0.39
ANPEP P15144 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KEAP1 Q14145 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
BCHE P06276 1/20 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
SCHEMBL2294985 1.00 ALDH1A1 (0.43) ALDH1A1ADRB3LMNAMAPTSLC16A3
SCHEMBL2296093 0.90 MEN1 (0.47) ALDH1A1ADRB3LMNAMAPTANPEP
SCHEMBL2294927 0.90 MEN1 (0.47) ALDH1A1ADRB3LMNAMAPTANPEP
SCHEMBL2295327 0.88 ADRB2 (0.46) ALDH1A1ADRB3ANPEPADRB2ADRB1
SCHEMBL2291821 0.88 ADRB2 (0.46) ALDH1A1ADRB3ANPEPADRB2ADRB1
SCHEMBL2291484 0.86 ALDH1A1 (0.44) ALDH1A1ADRB3LMNAMAPTMEN1
SCHEMBL2294875 0.86 ALDH1A1 (0.44) ALDH1A1ADRB3LMNAMAPTMEN1
SCHEMBL2296986 0.84 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2296924 0.84 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2294975 0.83 ALDH1A1 (0.43) ALDH1A1ADRB3LMNAMAPTMEN1

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 6 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-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 ALDH1A1 1251/4885ADRB3 1845/4885LMNA 3268/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885ADRB3 1845/4885LMNA 3268/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885ADRB3 1845/4885LMNA 3268/4885

“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.