SCHEMBL2296953

SCHEMBL2296953

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ENPP3 O14638 2/20 0.39
ENPP1 P22413 2/20 0.39
ENPP2 Q13822 2/20 0.39
GAA P10253 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 2/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 2/20 0.37
MAPT P10636 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
SCHEMBL2298126 1.00 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2295196 0.90 MAOB (0.41) ALDH1A1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2295206 0.90 MAOB (0.41) ALDH1A1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2291608 0.85 ALDH1A1 (0.48) ALDH1A1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2296446 0.85 ALDH1A1 (0.48) ALDH1A1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2295953 0.84 ALDH1A1 (0.35) ALDH1A1ENPP3ENPP1GAACA2
SCHEMBL2290553 0.84 ALDH1A1 (0.35) ALDH1A1ENPP3ENPP1GAACA2
SCHEMBL2297492 0.83 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2295884 0.83 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2297819 0.79 ALDH1A1 (0.43) ALDH1A1CYP2D6CYP3A4CYP2C9CYP2C19

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 ALDH1A1 1251/4885CYP2D6 1386/4885CYP3A4 672/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885CYP2D6 1386/4885CYP3A4 672/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885CYP2D6 1386/4885CYP3A4 672/4885

“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.