SCHEMBL2295206

SCHEMBL2295206

CC(C)(C)N1C[C@@H](c2ccc(OS(=O)(=O)c3ccccc3)cc2)OCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PARL Q9H300 1/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
ENPP3 O14638 3/20 0.36
ENPP1 P22413 3/20 0.36

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
SCHEMBL2295196 1.00 MAOB (0.41) MAOBALDH1A1NPC1RAB9ATDP1
SCHEMBL2296953 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTNPSR1KDM4E
SCHEMBL2298126 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTNPSR1KDM4E
SCHEMBL2290885 0.85 CYP3A4 (0.45) MAOBALDH1A1NPC1RAB9ATDP1
SCHEMBL2298990 0.85 CYP3A4 (0.45) MAOBALDH1A1NPC1RAB9ATDP1
SCHEMBL2295953 0.85 ALDH1A1 (0.35) ALDH1A1ALPLALPIKDM4EHPGD
SCHEMBL2290553 0.85 ALDH1A1 (0.35) ALDH1A1ALPLALPIKDM4EHPGD
SCHEMBL2295216 0.82 HTR6 (0.40) ALDH1A1SMN1; SMN2PARLMAPTALPL
SCHEMBL2295201 0.82 HTR6 (0.40) ALDH1A1SMN1; SMN2PARLMAPTALPL
SCHEMBL2294155 0.82 MAOB (0.41) MAOBALDH1A1NPC1RAB9ATDP1

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 MAOB 653/4885ALDH1A1 1251/4885NPC1 1685/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAOB 653/4885ALDH1A1 1251/4885NPC1 1685/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAOB 653/4885ALDH1A1 1251/4885NPC1 1685/4885

“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.