SCHEMBL2293129

SCHEMBL2293129

COc1ccc(CNCC(=O)c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
TAS2R14 Q9NYV8 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
HTT P42858 2/20 0.47
CXCR3 P49682 1/20 0.47
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45

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
SCHEMBL2293113 0.92 ENPP3 (0.49) HSD11B1ALDH1A1MEN1KMT2ACA2
SCHEMBL2295967 0.90 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL2298957 0.86 ENPP2 (0.51) HSD11B1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6718805 0.85 NPC1 (0.63) HSD11B1ALDH1A1TSHRMEN1KMT2A
SCHEMBL2293134 0.84 MAPT (0.48) HSD11B1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2297315 0.84 TSHR (0.48) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL2293378 0.84 MEN1 (0.50) HSD11B1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2294206 0.83 ENPP1 (0.50) HSD11B1ALDH1A1MEN1KMT2ANPC1
SCHEMBL2295221 0.80 STS (0.50) HSD11B1ALDH1A1TSHRMEN1KMT2A
SCHEMBL2296219 0.80 ENPP3 (0.52) HSD11B1ALDH1A1MEN1KMT2ACA12

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 HSD11B1 1536/4885ALDH1A1 1251/4885L3MBTL1 4453/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 HSD11B1 1536/4885ALDH1A1 1251/4885L3MBTL1 4453/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 HSD11B1 1536/4885ALDH1A1 1251/4885L3MBTL1 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.