SCHEMBL6317294

SCHEMBL6317294

O=C(OCc1cccc(C(F)(F)F)c1)C(Cn1ccnc1)C(O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.37
MMP1 P03956 1/20 0.37
MMP12 P39900 1/20 0.37
CTSA P10619 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NR4A2 P43354 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 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
SCHEMBL3065993 0.82 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2FFAR1PRKCA
SCHEMBL6317299 0.76 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2ALDH1A1GAA
SCHEMBL4501790 0.74 L3MBTL1 (0.47) FFAR1ALDH1A1GAAL3MBTL1NPC1
SCHEMBL3074292 0.69 FFAR1 (0.40) FFAR1ALDH1A1GAAL3MBTL1PRKCA
SCHEMBL6308384 0.69 FFAR1 (0.40) FFAR1PRKCAPRKCDMMP1MMP12
SCHEMBL3071472 0.67 FFAR1 (0.41) FFAR1PRKCAPRKCDKMT2AMMP1
SCHEMBL3062327 0.67 NPC1 (0.43) FFAR1ALDH1A1GAAL3MBTL1NPC1
SCHEMBL9747476 0.66 CYP11B1 (0.66) CYP19A1CYP11B1CYP11B2
SCHEMBL11734381 0.66 POLB (0.64) RAB9AKMT2AKDM4E
SCHEMBL11700956 0.66 CYP19A1 (0.64) CYP19A1CYP11B1CYP11B2FFAR1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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 (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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR CYP19A1 11/4885CYP11B1 73/4885CYP11B2 81/4885

“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.