SCHEMBL3538846

SCHEMBL3538846

COC(=O)C(C(=O)OC)c1sccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 1/20 0.39
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
PPARG P37231 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ADRA1D P25100 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 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
SCHEMBL11468486 0.84 ALOX5 (0.45) ALOX5SMN1; SMN2HPGDPKMGSK3B
Hydrochloric Acid SCHEMBL5214794 0.81 ALOX5 (0.46) ALOX5SMN1; SMN2HPGDPKMGSK3B
SCHEMBL13225708 0.80 ABCB11 (0.38) SMN1; SMN2HPGDPKMALDH1A1KMT2A
SCHEMBL3541270 0.79 ALOX5 (0.50) ALOX5SMN1; SMN2PKMGSK3BKMT2A
SCHEMBL6611730 0.75 ALDH1A1 (0.55) SMN1; SMN2HPGDPKMALDH1A1KMT2A
SCHEMBL2994556 0.71 ALOX5 (0.44) ALOX5SMN1; SMN2HPGDPKMGSK3B
SCHEMBL13792082 0.70 ALOX5 (0.43) ALOX5SMN1; SMN2HPGDPKMGSK3B
SCHEMBL7642306 0.69 ALOX5 (0.49) ALOX5SMN1; SMN2PKMGSK3BKMT2A
SCHEMBL2162247 0.69 ALOX5 (0.53) ALOX5SMN1; SMN2HPGDPKMGSK3B
SCHEMBL3534703 0.69 ALDH1A1 (0.41) SMN1; SMN2HPGDALDH1A1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101120000-B Pyrazolopyrimidines BAYER CROPSCIENCE AG 2011-05-18 CN disclosed
US-7781439-B2 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2010-08-24 US disclosed
US-7781439-B2 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2010-08-24 US disclosed
US-7781439-B2 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2010-08-24 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-20080287463-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2008-11-20 US disclosed
US-20080287463-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2008-11-20 US disclosed
US-20080287463-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2008-11-20 US disclosed
CN-101120000-A Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2008-02-06 CN disclosed
CN-101023078-A 5-heterocyclyl pyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-22 CN disclosed
EP-1791834-A1 5-HETEROCYCLYL PYRIMIDINES Bayer CropScience Aktiengesellschaft (DE) 2007-06-06 EP disclosed
EP-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2006029867-A1 5-HETEROCYCLYL PYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-03-23 WO disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 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 (2 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-20080287463-A1 Pyrazolopyrimidines RRP15, RPLP2, DPYD ALOX5 3062/4885SMN1; SMN2 3995/4885HPGD 1139/4885
US-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 ALOX5 2632/4885SMN1; SMN2 3995/4885HPGD 1756/4885

“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.