SCHEMBL3328928

SCHEMBL3328928

FC(F)(F)c1ccc(-c2ccc(Br)c(OCCCS)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.38
KIF11 P52732 7/20 0.36
ALOX5 P09917 1/20 0.35
PSEN1 P49768 1/20 0.35
PTPN1 P18031 3/20 0.34
PTPN2 P17706 2/20 0.34
PTPN6 P29350 2/20 0.34
SLC6A4 P31645 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MCHR1 Q99705 1/20 0.33
TDP2 O95551 1/20 0.33
MAOB P27338 1/20 0.33
LTB4R Q15722 2/20 0.33

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
SCHEMBL3323835 0.88 L3MBTL1 (0.37) PTPN1SLC6A4L3MBTL1CYP19A1CYP11B1
SCHEMBL3322865 0.83 PPARD (0.39) AGXTKIF11ALOX5PSEN1PTPN1
SCHEMBL3323664 0.77 AHR (0.42) SLC6A4
SCHEMBL23648160 0.74 SLC6A4 (0.45) SLC6A4L3MBTL1CYP19A1CYP11B1CYP11B2
SCHEMBL18608433 0.74 L3MBTL1 (0.38) PTPN1SLC6A4L3MBTL1CYP19A1CYP11B1
SCHEMBL3322520 0.73 FFAR1 (0.44) L3MBTL1CYP11B1CYP11B2
SCHEMBL3324430 0.73 CYP11B1 (0.39) SLC6A4L3MBTL1CYP19A1CYP11B1CYP11B2
SCHEMBL23648069 0.72 L3MBTL1 (0.38) PTPN1SLC6A4L3MBTL1CYP19A1CYP11B1
SCHEMBL18608786 0.72 KDM4E (0.45) SLC6A4L3MBTL1
SCHEMBL3322824 0.70 HTR2A (0.43) SLC6A4L3MBTL1CYP19A1CYP11B1CYP11B2

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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 AGXT 686/4885KIF11 4824/4885ALOX5 435/4885

“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.