SCHEMBL3101397

SCHEMBL3101397

C=C(C(=O)Oc1cccc(F)c1F)C(O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
NOTUM Q6P988 1/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SGMS2 Q8NHU3 2/20 0.35
MAPK1 P28482 2/20 0.34
KCNA5 P22460 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3112495 0.88 LMNA (0.40) SLC6A2SLC6A4SLC6A3LMNAPOLB
SCHEMBL3097854 0.84 POLB (0.40) SLC6A2SLC6A4SLC6A3POLBSMN1; SMN2
SCHEMBL3108078 0.84 POLB (0.40) LMNAPOLBSMN1; SMN2NOTUMKMT2A
SCHEMBL3097352 0.82 KMT2A (0.52) LMNAPOLBSMN1; SMN2KMT2AATM
SCHEMBL3104167 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3LMNASMN1; SMN2
SCHEMBL3112036 0.80 CYP11B2 (0.45) SLC6A2SLC6A4SLC6A3LMNAPOLB
SCHEMBL3103624 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNAPOLB
SCHEMBL3108241 0.80 CYP11B1 (0.41) LMNAPOLBSMN1; SMN2KMT2AATM
SCHEMBL13817460 0.78 SMN1; SMN2 (0.47) SLC6A2SLC6A4SLC6A3LMNASMN1; SMN2
SCHEMBL3103797 0.78 KCNA5 (0.40) LMNASMN1; SMN2KMT2AL3MBTL1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101909452-A Fungicidal mixtures III BASF SE 2010-12-08 CN claimed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US claimed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP claimed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO claimed
CN-101909452-A Fungicidal mixtures III BASF SE 2010-12-08 CN disclosed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US disclosed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US disclosed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 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 (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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 SLC6A2 1804/4885SLC6A4 1713/4885SLC6A3 470/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 SLC6A2 2087/4885SLC6A4 2509/4885SLC6A3 971/4885

“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.