SCHEMBL1412463

SCHEMBL1412463

COc1ccc(Cn2nnc(COS(C)(=O)=O)c2C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.44
AKR1C3 P42330 10/20 0.44
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TOP2A P11388 1/20 0.42
PTGER4 P35408 1/20 0.41
AKR1C2 P52895 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 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
SCHEMBL1412502 0.90 AKR1C3 (0.45) PDE8BAKR1C3ALOX15L3MBTL1TOP2A
SCHEMBL1412545 0.84 PDE8B (0.50) PDE8BAKR1C3ALOX15L3MBTL1TOP2A
SCHEMBL1412575 0.82 ALOX15 (0.48) PDE8BAKR1C3ALOX15L3MBTL1TOP2A
SCHEMBL1412581 0.76 ALOX15 (0.50) PDE8BAKR1C3ALOX15L3MBTL1TOP2A
SCHEMBL1412414 0.74 METAP2 (0.41) PDE8BAKR1C3ALOX15L3MBTL1PTGER4
SCHEMBL1412426 0.73 AKR1C3 (0.51) PDE8BAKR1C3ALOX15L3MBTL1TOP2A
SCHEMBL15946997 0.73 PTGER4 (0.66) AKR1C3TOP2APTGER4MEN1KMT2A
SCHEMBL22816865 0.72 AKR1C3 (0.50) PDE8BAKR1C3ALOX15L3MBTL1TOP2A
SCHEMBL17963226 0.71 CYP19A1 (0.61) MEN1KMT2A
SCHEMBL3731878 0.71 UCHL1 (0.54) PDE8BAKR1C3ALOX15L3MBTL1KMT2A

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
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
EP-1991542-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS Syngenta Limited (GB) 2008-11-19 EP disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 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-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS CYP4X1, RDX, HAX1 PDE8B 1342/4885AKR1C3 340/4885ALOX15 2655/4885

“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.