SCHEMBL2296482

SCHEMBL2296482

O=C1CO[C@@H](c2ccccc2OS(=O)(=O)c2ccccc2)CN1CCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
TSHR P16473 1/20 0.37
HTR2C P28335 1/20 0.37
HTR6 P50406 1/20 0.36
DPP4 P27487 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PARL Q9H300 1/20 0.35
POLB P06746 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL2295346 1.00 MEN1 (0.37) MEN1KMT2AHTR2AKCNH2TSHR
SCHEMBL2296071 0.89 HPGD (0.38) MEN1KMT2AHTR2AKCNH2TSHR
SCHEMBL2293906 0.89 HPGD (0.38) MEN1KMT2AHTR2AKCNH2TSHR
SCHEMBL2294159 0.86 HTR6 (0.40) MEN1KMT2AHTR6L3MBTL1PARL
SCHEMBL2293508 0.86 HTR6 (0.40) MEN1KMT2AHTR6L3MBTL1PARL
SCHEMBL2295345 0.83 TSHR (0.40) MEN1KMT2AHTR2AKCNH2TSHR
SCHEMBL2296480 0.83 TSHR (0.40) MEN1KMT2AHTR2AKCNH2TSHR
SCHEMBL2291657 0.83 MEN1 (0.36) MEN1KMT2ATSHRHTR6L3MBTL1
SCHEMBL2298070 0.83 MEN1 (0.36) MEN1KMT2ATSHRHTR6L3MBTL1
SCHEMBL2298994 0.82 MEN1 (0.43) MEN1KMT2AHTR6L3MBTL1PARL

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 MEN1 1671/4885KMT2A 1798/4885HTR2A 1690/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MEN1 1671/4885KMT2A 1798/4885HTR2A 1690/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MEN1 1671/4885KMT2A 1798/4885HTR2A 1690/4885

“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.