SCHEMBL2294560

SCHEMBL2294560

C=CCNCC(=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 7/20 0.50
ENPP1 P22413 7/20 0.50
ENPP2 Q13822 5/20 0.49
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
STS P08842 1/20 0.41
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 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
SCHEMBL2293956 0.88 ENPP1 (0.52) ENPP3ENPP1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL2294206 0.83 ENPP1 (0.50) ENPP3ENPP1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL2293113 0.82 ENPP3 (0.49) ENPP3ENPP1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL2295806 0.82 PKM (0.43) ENPP3ENPP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2296219 0.80 ENPP3 (0.52) ENPP3ENPP1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL2294566 0.80 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL2293540 0.80 ENPP1 (0.47) ENPP3ENPP1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL4413289 0.79 KDM4E (0.60) ALDH1A1SMN1; SMN2TDP1MAPTKDM4E
SCHEMBL2293129 0.77 HSD11B1 (0.53) ENPP3ENPP1ALDH1A1SMN1; SMN2TDP1
SCHEMBL2295360 0.77 ENPP1 (0.49) ENPP3ENPP1ENPP2ALDH1A1SMN1; SMN2

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 ENPP3 3522/4885ENPP1 1908/4885ENPP2 4554/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ENPP3 3522/4885ENPP1 1908/4885ENPP2 4554/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ENPP3 3522/4885ENPP1 1908/4885ENPP2 4554/4885

“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.