SCHEMBL2294795

SCHEMBL2294795

CC(C)(C)NC[C@@H](O)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.51
ADRB1 P08588 5/20 0.51
CYP2D6 P10635 2/20 0.51
HIF1A Q16665 2/20 0.51
NFKB1 P19838 1/20 0.51
BLM P54132 2/20 0.50
HSD11B1 P28845 1/20 0.42
HSD17B3 P37058 1/20 0.42
ADRB3 P13945 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2294900 1.00 ADRB2 (0.51) ADRB2ADRB1CYP2D6HIF1ANFKB1
SCHEMBL2294975 0.85 ALDH1A1 (0.43) ADRB2ADRB1HIF1ANFKB1HSD11B1
SCHEMBL2297840 0.85 ALDH1A1 (0.43) ADRB2ADRB1HIF1ANFKB1HSD11B1
SCHEMBL2294875 0.83 ALDH1A1 (0.44) HIF1AHSD11B1HSD17B3ADRB3ALDH1A1
SCHEMBL2291484 0.83 ALDH1A1 (0.44) HIF1AHSD11B1HSD17B3ADRB3ALDH1A1
SCHEMBL1827850 0.82 SYK (0.42) HSD11B1HSD17B3ALDH1A1MAPT
SCHEMBL2291993 0.80 APAF1 (0.45) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL2294322 0.80 APAF1 (0.45) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL2293132 0.80 APAF1 (0.45) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL2293833 0.80 APAF1 (0.45) ADRB2ADRB1ADRB3ALDH1A1KDM4E

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 1160/4885ADRB1 845/4885CYP2D6 1386/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB2 1160/4885ADRB1 845/4885CYP2D6 1386/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB2 1160/4885ADRB1 845/4885CYP2D6 1386/4885

“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.