SCHEMBL2294566

SCHEMBL2294566

C=CCNCC(=O)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.42
HTT P42858 4/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.38
DHODH Q02127 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LIG1 P18858 1/20 0.36
EYA2 O00167 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 2/20 0.35
HPGD P15428 1/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL2294211 0.83 MAPT (0.53) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL2293118 0.82 MAPT (0.52) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL2296224 0.80 MAPT (0.56) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL2294560 0.80 ENPP3 (0.50) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL2293545 0.80 MAPT (0.50) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL10770490 0.79 NPC1 (0.54) ALDH1A1HTTLMNAKMT2ASMN1; SMN2
SCHEMBL2295363 0.77 MAPT (0.52) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL1665951 0.76 MAPT (0.69) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL2291597 0.76 MAPT (0.60) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL2293134 0.75 MAPT (0.48) MAPTALDH1A1HTTLMNAKMT2A

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 MAPT 1/4885ALDH1A1 1251/4885KDM4E 842/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAPT 1/4885ALDH1A1 1251/4885KDM4E 842/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAPT 1/4885ALDH1A1 1251/4885KDM4E 842/4885

“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.