SCHEMBL4499652

SCHEMBL4499652

C=C(C(=O)Oc1cccc(C(F)(F)F)c1)C(O)c1nccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CTSA P10619 5/20 0.42
FFAR1 O14842 1/20 0.40
ATM Q13315 1/20 0.40
TRPA1 O75762 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL4500155 0.83 CTSA (0.44) NPC1RAB9ACTSATRPA1MAPT
SCHEMBL4501790 0.83 L3MBTL1 (0.47) NPC1RAB9ACTSAFFAR1MAPT
SCHEMBL4500400 0.81 MEN1 (0.44) NPC1RAB9ACTSA
SCHEMBL4487788 0.80 STS (0.41) NPC1RAB9ACTSAATML3MBTL1
SCHEMBL4492664 0.80 CTSA (0.45) NPC1RAB9ACTSAFFAR1L3MBTL1
SCHEMBL4506051 0.80 CTSA (0.37) NPC1RAB9ACTSAL3MBTL1
SCHEMBL4493455 0.78 NPC1 (0.39) NPC1RAB9ACTSAALDH1A1
SCHEMBL4497712 0.78 RAB9A (0.41) NPC1RAB9ACTSAATMMAPT
SCHEMBL4487757 0.77 MAPT (0.38) NPC1RAB9ACTSAKDM4EMAPT
SCHEMBL4498439 0.77 CTSA (0.51) NPC1RAB9ACTSAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 NPC1 2050/4885RAB9A 2421/4885CTSA 1423/4885

“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.