SCHEMBL3534703

SCHEMBL3534703

COC(=O)C(C(=O)OC)c1ccsc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ABCB11 O95342 2/20 0.38
THRB P10828 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2B6 P20813 1/20 0.38
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
P2RY12 Q9H244 1/20 0.38
KMT2A Q03164 6/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL13225708 0.75 ABCB11 (0.38) ALDH1A1ABCB11THRBNR1I2CHRM2
SCHEMBL6487230 0.70 ALDH1A1 (0.56) ALDH1A1ABCB11THRBNR1I2CHRM2
SCHEMBL3538846 0.69 ALOX5 (0.46) ALDH1A1CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL15111367 0.68 KMT2A (0.51) ALDH1A1SLC6A4KMT2APOLBMEN1
SCHEMBL3533537 0.68 LMNA (0.47) ALDH1A1KMT2APOLBMEN1SMN1; SMN2
SCHEMBL28553916 0.68 HPGD (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL27641754 0.67 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4064082 0.66 ALDH1A1 (0.56) ALDH1A1SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL15075786 0.66 ABL1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4510815 0.66 NR3C2 (0.54) MAPK1

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-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
EP-1853607-A2 PYRAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2007-11-14 EP 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-2006087120-A2 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2006-08-24 WO 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 ALDH1A1 891/4885ABCB11 2920/4885THRB 2739/4885
US-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 ALDH1A1 535/4885ABCB11 456/4885THRB 3504/4885

“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.