SCHEMBL3322865

SCHEMBL3322865

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.39
KIF11 P52732 6/20 0.38
AGXT P21549 1/20 0.38
KMT2A Q03164 1/20 0.37
PTPN1 P18031 2/20 0.36
ALOX5 P09917 1/20 0.35
PSEN1 P49768 1/20 0.35
PPARA Q07869 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL3322824 0.88 HTR2A (0.43) PPARDKMT2APPARAUTS2RHTR2A
SCHEMBL3328928 0.83 AGXT (0.38) KIF11AGXTPTPN1ALOX5PSEN1
SCHEMBL3094209 0.82 AHR (0.48) KMT2A
SCHEMBL22809546 0.71 MRGPRX4 (0.43) KMT2APPARAHTR2ASLC6A4KCNH2
SCHEMBL3323664 0.71 AHR (0.42) KMT2AUTS2RSLC6A4
SCHEMBL3323835 0.70 L3MBTL1 (0.37) PPARDKMT2APTPN1PPARAPTGDR2
SCHEMBL13756273 0.69 PPARD (0.49) PPARDKIF11KMT2A
SCHEMBL23226778 0.67 PSEN1 (0.39) PPARDKIF11AGXTKMT2APTPN1
SCHEMBL23226546 0.66 CACNA1B (0.41) KIF11ALOX5PSEN1
SCHEMBL5079499 0.66 HPGD (0.47) KMT2A

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 PPARD 241/4885KIF11 4824/4885AGXT 686/4885

“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.