SCHEMBL776466

SCHEMBL776466

O=S(=O)(O)CCc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 2/20 0.48
AOC3 Q16853 1/20 0.43
MPO P05164 2/20 0.42
AKR1C3 P42330 1/20 0.41
DAO P14920 2/20 0.41
IDO1 P14902 1/20 0.39
MAOB P27338 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL777184 0.85 AKR1B1 (0.40) TAAR1KMT2AALDH1A1MEN1LMNA
SCHEMBL6926904 0.83 TAAR1 (0.56) TAAR1KMT2AALDH1A1MEN1LMNA
SCHEMBL6009979 0.80 MPO (0.51) TAAR1KMT2AMEN1LMNAMPO
SCHEMBL31452193 0.80 TAAR1 (0.52) TAAR1KMT2AALDH1A1MEN1LMNA
SCHEMBL3257217 0.80 TAAR1 (0.52) TAAR1KMT2AALDH1A1MEN1LMNA
SCHEMBL4881315 0.80 TAAR1 (0.57) TAAR1KMT2AALDH1A1MEN1LMNA
SCHEMBL776018 0.79 ALDH1A1 (0.56) TAAR1KMT2AALDH1A1MEN1LMNA
SCHEMBL777720 0.78 TAAR1 (0.50) TAAR1KMT2AALDH1A1MEN1LMNA
SCHEMBL10976350 0.78 MGLL (0.56) TAAR1MPOIDO1
SCHEMBL776934 0.77 HTR2A (0.49) DAOIDO1MAOB

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448836-B Pyridopyrimidinone derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 CN claimed
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP claimed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US claimed
CN-101448836-A Pyridopyrimidinone derivatives HOFFMANN LA ROCHE (CH) 2009-06-03 CN claimed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP claimed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US claimed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO claimed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
CN-101448836-B Pyridopyrimidinone derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 CN disclosed
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
CN-101448836-A Pyridopyrimidinone derivatives HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 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 (1 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 TAAR1 42/4885KMT2A 2087/4885ALDH1A1 1422/4885

“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.