SCHEMBL3108241

SCHEMBL3108241

C=C(C(=O)Oc1ccc(F)c(F)c1)C(O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
CYP51A1 Q16850 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
NTSR1 P30989 1/20 0.37
TP53 P04637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
ABL1 P00519 1/20 0.35
S1PR3 Q99500 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3108557 0.90 L3MBTL1 (0.39) CYP11B2ADRB1ADRB3KMT2AATM
SCHEMBL3097352 0.86 KMT2A (0.52) CYP11B1CYP11B2KMT2AATMTP53
SCHEMBL3112495 0.84 LMNA (0.40) CYP11B1CYP11B2ADRB1ADRB3KMT2A
SCHEMBL3113999 0.84 CYP19A1 (0.46) CYP11B1CYP11B2KMT2ACYP1A2SMN1; SMN2
SCHEMBL3114013 0.83 ALOX15 (0.49) KMT2APOLBMEN1
SCHEMBL3103206 0.83 MAPT (0.46) KMT2ACYP51A1CYP1A2CYP1A1CYP1B1
SCHEMBL3108078 0.83 POLB (0.40) CYP11B1CYP11B2KMT2AATMTP53
SCHEMBL13817460 0.82 SMN1; SMN2 (0.47) TP53SMN1; SMN2LMNAHTTCYP2C19
SCHEMBL3103920 0.81 KMT2A (0.52) KMT2ASMN1; SMN2LMNACYP3A4CYP2C19
SCHEMBL3101186 0.81 KMT2A (0.52) KMT2ACYP1A2CYP1A1CYP1B1POLB

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 CYP11B1 78/4885CYP11B2 107/4885ADRB1 586/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 CYP11B1 78/4885CYP11B2 72/4885ADRB1 1970/4885

“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.