SCHEMBL6640583

SCHEMBL6640583

CN(C)C=C(C(=O)O)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.56
CYP11B2 P19099 5/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
SRD5A2 P31213 1/20 0.45
PTPN1 P18031 2/20 0.44
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
MAOB P27338 1/20 0.41
AKR1C3 P42330 1/20 0.41
GSK3B P49841 2/20 0.40
LSS P48449 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6640581 1.00 CYP11B1 (0.56) CYP11B1CYP11B2CES2CES1NR4A1
SCHEMBL3408555 0.80 NPSR1 (0.55) CYP11B1CYP11B2CES2CES1CYP1A1
SCHEMBL3408557 0.80 NPSR1 (0.55) CYP11B1CYP11B2CES2CES1CYP1A1
SCHEMBL4291907 0.80 RAB9A (0.48) CES2CES1NPC1RAB9A
SCHEMBL4291901 0.80 RAB9A (0.48) CES2CES1NPC1RAB9A
SCHEMBL773932 0.79 HTT (0.49) CYP11B1CYP11B2
SCHEMBL773931 0.79 HTT (0.49) CYP11B1CYP11B2
SCHEMBL9874158 0.77 CYP11B1 (0.54) CYP11B1CYP11B2CES2CES1NR4A1
SCHEMBL7253109 0.76 CYP11B1 (0.57) CYP11B1CYP11B2CES2CES1RAB9A
SCHEMBL7253116 0.76 CYP11B1 (0.57) CYP11B1CYP11B2CES2CES1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 CYP11B1 61/4885CYP11B2 96/4885CES2 133/4885

“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.