SCHEMBL2293182

SCHEMBL2293182

COC(=O)N1CCO[C@H](c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.44
ENPP1 P22413 3/20 0.44
ENPP2 Q13822 3/20 0.44
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP1A2 P05177 1/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL2294412 1.00 ENPP3 (0.44) ENPP3ENPP1ENPP2CYP2C9CYP2C19
SCHEMBL2295739 0.91 KMT2A (0.44) ENPP3ENPP1ENPP2CYP2C9CYP2C19
SCHEMBL2296164 0.91 KMT2A (0.44) ENPP3ENPP1ENPP2CYP2C9CYP2C19
SCHEMBL2298271 0.91 ENPP3 (0.42) ENPP3ENPP1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL2297829 0.91 ENPP3 (0.42) ENPP3ENPP1ENPP2ALDH1A1SMN1; SMN2
SCHEMBL3374352 0.89 ALDH1A1 (0.43) ENPP3ENPP1ENPP2CYP2C9CYP2C19
SCHEMBL3372092 0.89 ALDH1A1 (0.43) ENPP3ENPP1ENPP2CYP2C9CYP2C19
SCHEMBL2294862 0.88 CYP2C9 (0.40) ENPP3ENPP1ENPP2CYP2C9CYP2C19
SCHEMBL2298443 0.88 CYP2C9 (0.46) ENPP3ENPP1ENPP2CYP2C9CYP2C19
SCHEMBL2292876 0.88 CYP2C9 (0.40) ENPP3ENPP1ENPP2CYP2C9CYP2C19

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
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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 (2 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

“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.