SCHEMBL2294975

SCHEMBL2294975

CNC[C@H](O)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
HSD11B1 P28845 1/20 0.39
HSD17B3 P37058 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DHODH Q02127 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 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
SCHEMBL2297840 1.00 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1ADRA2AADRA2B
SCHEMBL2294875 0.86 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1ADRB3HTT
SCHEMBL2291484 0.86 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1ADRB3HTT
SCHEMBL2294900 0.85 ADRB2 (0.51) ALDH1A1MAPTADRB1ADRB3HTT
SCHEMBL2294795 0.85 ADRB2 (0.51) ALDH1A1MAPTADRB1ADRB3HTT
SCHEMBL2293833 0.83 APAF1 (0.45) ALDH1A1MAPTADRB1ADRB3RAB9A
SCHEMBL2291993 0.83 APAF1 (0.45) ALDH1A1MAPTADRB1ADRB3RAB9A
SCHEMBL2293132 0.83 APAF1 (0.45) ALDH1A1MAPTADRB1ADRB3RAB9A
SCHEMBL2294322 0.83 APAF1 (0.45) ALDH1A1MAPTADRB1ADRB3RAB9A
SCHEMBL2295374 0.83 ALDH1A1 (0.43) ALDH1A1MAPTADRB1ADRB3LMNA

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 ALDH1A1 1251/4885MAPT 1/4885L3MBTL1 4453/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885MAPT 1/4885L3MBTL1 4453/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885MAPT 1/4885L3MBTL1 4453/4885

“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.