SCHEMBL2295360

SCHEMBL2295360

CC(C)(C)NCC(=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 7/20 0.49
ENPP3 O14638 6/20 0.49
ENPP2 Q13822 4/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD11B1 P28845 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ADAMTS4 O75173 1/20 0.44
EGFR P00533 2/20 0.43
RECQL P46063 2/20 0.43
STS P08842 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL2291734 0.88 ENPP1 (0.52) ENPP1ENPP3ENPP2ALDH1A1SMN1; SMN2
SCHEMBL2296219 0.85 ENPP3 (0.52) ENPP1ENPP3ENPP2TDP1ALDH1A1
SCHEMBL2294206 0.83 ENPP1 (0.50) ENPP1ENPP3ENPP2TDP1ALDH1A1
SCHEMBL2294634 0.82 STS (0.43) ENPP1ENPP3TDP1ALDH1A1SMN1; SMN2
SCHEMBL6871371 0.80 ERCC5 (0.58) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6866018 0.79 ERCC5 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL2293113 0.79 ENPP3 (0.49) ENPP1ENPP3ENPP2TDP1ALDH1A1
SCHEMBL2295363 0.79 MAPT (0.52) ALDH1A1SMN1; SMN2HSD11B1MEN1KMT2A
SCHEMBL2296973 0.79 ADAMTS4 (0.46) ENPP1ENPP3ENPP2TDP1ALDH1A1
SCHEMBL2294630 0.79 ADAMTS4 (0.46) ENPP1ENPP3ENPP2TDP1ALDH1A1

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