SCHEMBL2296520

SCHEMBL2296520

Cc1ccc(S(=O)(=O)Oc2ccc([C@@H](O)CNC(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.48
ENPP2 Q13822 4/20 0.48
ENPP3 O14638 3/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.44
PPARG P37231 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL2298991 1.00 ENPP1 (0.48) ENPP1ENPP2ENPP3ALDH1A1MAPT
SCHEMBL2294788 0.89 SMN1; SMN2 (0.46) ENPP1ENPP2ENPP3ALDH1A1MAPT
SCHEMBL2294894 0.89 SMN1; SMN2 (0.46) ENPP1ENPP2ENPP3ALDH1A1MAPT
SCHEMBL2293023 0.86 ALDH1A1 (0.49) ENPP1ENPP2ENPP3ALDH1A1MAPT
SCHEMBL2294400 0.86 ALDH1A1 (0.49) ENPP1ENPP2ENPP3ALDH1A1MAPT
SCHEMBL2299036 0.84 ENPP1 (0.48) ENPP1ENPP2ENPP3ALDH1A1MAPT
SCHEMBL2297933 0.84 ENPP1 (0.48) ENPP1ENPP2ENPP3ALDH1A1MAPT
SCHEMBL1826408 0.82 EGFR (0.46) ENPP1ENPP2ENPP3ALDH1A1MAPT
Benzene SCHEMBL27711161 0.81 ENPP1 (0.47) ENPP1ENPP2ENPP3ALDH1A1MAPT
Benzene SCHEMBL27711279 0.81 ENPP1 (0.47) ENPP1ENPP2ENPP3ALDH1A1MAPT

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

“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.