SCHEMBL2297086

SCHEMBL2297086

Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3CN(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCO3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MGLL Q99685 3/20 0.42
CYP2D6 P10635 1/20 0.41
F2 P00734 1/20 0.41
MAOA P21397 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
SCHEMBL2298820 1.00 FAAH (0.46) FAAHCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2296205 0.92 FAAH (0.49) FAAHCYP1A2MGLLCYP2D6
SCHEMBL2294205 0.92 FAAH (0.49) FAAHCYP1A2MGLLCYP2D6
SCHEMBL2291605 0.89 CYP2C9 (0.46) FAAHCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2298443 0.89 CYP2C9 (0.46) FAAHCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2299024 0.88 FAAH (0.47) FAAHCYP1A2MGLLCYP2D6
SCHEMBL2291762 0.88 FAAH (0.47) FAAHCYP1A2MGLLCYP2D6
SCHEMBL2295578 0.87 CYP1A2 (0.52) FAAHCYP1A2MGLLCYP2D6
SCHEMBL2294852 0.87 CYP1A2 (0.52) FAAHCYP1A2MGLLCYP2D6
SCHEMBL2294412 0.85 ENPP3 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1CYP2D6

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 FAAH 4654/4885CYP1A2 761/4885CYP2C9 1988/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 FAAH 4654/4885CYP1A2 761/4885CYP2C9 1988/4885

“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.