SCHEMBL3109119

SCHEMBL3109119

C=C(C(=O)OCc1ccc(OC(F)(F)F)cc1)C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GPR132 Q9UNW8 1/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
ABL1 P00519 4/20 0.40
NAMPT P43490 1/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX1 P07099 1/20 0.39
IDO1 P14902 1/20 0.38
FFAR1 O14842 1/20 0.38
AHR P35869 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL3104042 0.89 KDM5A (0.44) GPR132CYP11B1CYP11B2NAMPTKCNH2
SCHEMBL3109020 0.88 TRPV1 (0.45) GPR132LMNAKMT2ATDP1FFAR1
SCHEMBL3103554 0.85 LMNA (0.43) NPC1RAB9AGPR132NAMPTLMNA
SCHEMBL3114820 0.83 HTT (0.44) GPR132LMNAKMT2ATDP1L3MBTL1
SCHEMBL3111661 0.83 LIPE (0.47) NPC1RAB9ALMNAFFAR1L3MBTL1
SCHEMBL3109418 0.82 SMN1; SMN2 (0.41) LMNAKMT2AFFAR1CNR1CNR2
SCHEMBL3106146 0.81 FFAR1 (0.46) KMT2AIDO1FFAR1
SCHEMBL3101528 0.81 CNR2 (0.43) NAMPTLMNAKMT2AIDO1FFAR1
SCHEMBL3109164 0.79 CNR1 (0.40) LMNAKMT2AFFAR1CNR1CNR2
SCHEMBL3103882 0.79 GRM5 (0.41) GPR132

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NPC1 993/4885RAB9A 1561/4885GPR132 2171/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 NPC1 2050/4885RAB9A 2421/4885GPR132 3099/4885

“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.