SCHEMBL2290553

SCHEMBL2290553

CC(C)(C)N1C[C@@H](c2ccc(OS(C)(=O)=O)cc2)OCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
MMP2 P08253 2/20 0.33
MMP7 P09237 2/20 0.33
MMP9 P14780 2/20 0.33
MMP14 P50281 2/20 0.33
HPGD P15428 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL2295953 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EGAAMMP2MMP7
SCHEMBL2295196 0.85 MAOB (0.41) ALDH1A1KDM4EGAAHPGDENPP3
SCHEMBL2295206 0.85 MAOB (0.41) ALDH1A1KDM4EGAAHPGDENPP3
SCHEMBL2296953 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EGAAENPP3ENPP1
SCHEMBL2298126 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EGAAENPP3ENPP1
SCHEMBL2290453 0.83 CYP3A4 (0.41) ALDH1A1KDM4EGAAMMP2MMP7
SCHEMBL2293468 0.83 CYP3A4 (0.41) ALDH1A1KDM4EGAAMMP2MMP7
SCHEMBL2293524 0.80 KDM4E (0.37) ALDH1A1KDM4EGAAMMP2MMP7
SCHEMBL2292039 0.80 KDM4E (0.37) ALDH1A1KDM4EGAAMMP2MMP7
SCHEMBL2294966 0.79 MEN1 (0.41)

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 9 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
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO 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 ALDH1A1 1251/4885KDM4E 842/4885GAA 1873/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885KDM4E 842/4885GAA 1873/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885KDM4E 842/4885GAA 1873/4885

“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.