SCHEMBL3377104

SCHEMBL3377104

O=C(O)CCCCn1c(=O)c2sc3c(=O)n(CCCCC(=O)O)c(=O)c3sc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.46
FABP5 Q01469 2/20 0.46
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL1729797 0.94 FABP4 (0.44) FABP4FABP5PTGS1PTGS2LMNA
SCHEMBL25465028 0.77 PTGS1 (0.53) FABP4FABP5PTGS1PTGS2LMNA
SCHEMBL25465029 0.75 PTGS1 (0.57) FABP4FABP5PTGS1PTGS2LMNA
SCHEMBL411981 0.70 APEX1 (0.54) FABP4FABP5PTGS1PTGS2LMNA
SCHEMBL21111525 0.65 PTGS1 (0.59) PTGS1PTGS2LMNAMEN1GAA
Adipic Acid SCHEMBL8941691 0.65 LMNA (1.00) FABP4FABP5LMNAMEN1KMT2A
Adipic Acid SCHEMBL1330953 0.65 LMNA (1.00) FABP4FABP5LMNAMEN1KMT2A
Adipic Acid SCHEMBL2244299 0.65 LMNA (1.00) FABP4FABP5LMNAMEN1KMT2A
Adipic Acid SCHEMBL4930 0.65 LMNA (1.00) FABP4FABP5LMNAMEN1KMT2A
Adipic Acid SCHEMBL25482 0.65 LMNA (1.00) FABP4FABP5LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386203-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP claimed
US-9095140-B2 Use of dithiine-tetracarboximides for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20150065551-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-05 US disclosed
US-8865759-B2 Use of dithiine-tetracarboximides for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-21 US disclosed
US-20110319462-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi BAYER CROPSCIENCE AG 2011-12-29 US disclosed
US-20100120884-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2010-05-13 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-20100120884-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI TST, TTI1, DPM1 FABP4 4539/4885FABP5 2521/4885PTGS1 3592/4885
US-20110319462-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 FABP4 4539/4885FABP5 2521/4885PTGS1 3592/4885
US-20150065551-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 FABP4 4539/4885FABP5 2521/4885PTGS1 3592/4885

“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.