SCHEMBL2297496

SCHEMBL2297496

CC(Cl)OC(=O)N1CCO[C@@H](c2ccc(OS(C)(=O)=O)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 3/20 0.37
MGAT2 Q10469 1/20 0.37
USP30 Q70CQ3 2/20 0.36
CNR2 P34972 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PDE4B Q07343 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL2294697 1.00 MOGAT2 (0.37) MOGAT2MGAT2USP30CNR2PPARG
SCHEMBL2298269 0.87 USP30 (0.39) MOGAT2USP30CNR2ENPP3ENPP1
SCHEMBL2297261 0.87 USP30 (0.39) MOGAT2USP30CNR2ENPP3ENPP1
SCHEMBL2298283 0.86 MEN1 (0.38) MOGAT2MGAT2USP30PDE4BENPP3
SCHEMBL2298243 0.86 MEN1 (0.38) MOGAT2MGAT2USP30PDE4BENPP3
SCHEMBL2294862 0.86 CYP2C9 (0.40) PPARGENPP3ENPP1ALDH1A1SMN1; SMN2
SCHEMBL2292876 0.86 CYP2C9 (0.40) PPARGENPP3ENPP1ALDH1A1SMN1; SMN2
SCHEMBL2297489 0.84 PKM (0.40) PPARGPPARAPDE4BALDH1A1SMN1; SMN2
SCHEMBL2295420 0.84 PKM (0.40) PPARGPPARAPDE4BALDH1A1SMN1; SMN2
SCHEMBL2297060 0.84 GRIN2B (0.40) USP30PDE2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MOGAT2 2303/4885MGAT2 3555/4885USP30 3057/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MOGAT2 2303/4885MGAT2 3555/4885USP30 3057/4885

“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.