SCHEMBL2294738

SCHEMBL2294738

Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3CNC(=O)CO3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 0.41
ENPP2 Q13822 2/20 0.41
MGAM O43451 1/20 0.41
CA12 O43570 3/20 0.40
CA2 P00918 2/20 0.40
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2294885 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2296879 0.88 MAOB (0.45) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2293187 0.88 MAOB (0.45) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21779357 0.83 PRKAB2 (0.45) NPSR1MAPT
SCHEMBL2295147 0.82 PRKAB2 (0.40) ALDH1A1ENPP3ENPP1CA12CA2
SCHEMBL2294130 0.82 PRKAB2 (0.40) ALDH1A1ENPP3ENPP1CA12CA2
SCHEMBL4599726 0.79 ENPP1 (0.44) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4599439 0.79 ENPP1 (0.44) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2291608 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2296446 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19

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
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
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO 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 1251/4885CYP3A4 672/4885CYP2D6 1386/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885CYP3A4 672/4885CYP2D6 1386/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885CYP3A4 672/4885CYP2D6 1386/4885

“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.