SCHEMBL2290885

SCHEMBL2290885

CN1C[C@H](c2ccc(OS(=O)(=O)c3ccccc3)cc2)OCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAOB P27338 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PARL Q9H300 1/20 0.40
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
ENPP3 O14638 3/20 0.38
ENPP1 P22413 3/20 0.38
ENPP2 Q13822 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2298990 1.00 CYP3A4 (0.45) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2296446 0.89 ALDH1A1 (0.48) CYP3A4CYP2D6ALDH1A1SMN1; SMN2GAA
SCHEMBL2291608 0.89 ALDH1A1 (0.48) CYP3A4CYP2D6ALDH1A1SMN1; SMN2GAA
SCHEMBL2295196 0.85 MAOB (0.41) CYP3A4CYP2D6MAOBTDP1ALDH1A1
SCHEMBL2293504 0.85 MAOB (0.41) CYP3A4CYP2D6MAOBTDP1ALDH1A1
SCHEMBL2294155 0.85 MAOB (0.41) CYP3A4CYP2D6MAOBTDP1ALDH1A1
SCHEMBL2295206 0.85 MAOB (0.41) CYP3A4CYP2D6MAOBTDP1ALDH1A1
SCHEMBL2290453 0.84 CYP3A4 (0.41) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2293468 0.84 CYP3A4 (0.41) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2291885 0.82 KMT2A (0.40) MAOBTDP1ALDH1A1NPC1RAB9A

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 CYP3A4 672/4885CYP2D6 1386/4885SLC6A2 4107/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CYP3A4 672/4885CYP2D6 1386/4885SLC6A2 4107/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CYP3A4 672/4885CYP2D6 1386/4885SLC6A2 4107/4885

“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.