SCHEMBL4464924

SCHEMBL4464924

O=C(NCc1cncc(C(F)(F)F)c1)[C@@](O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.48
TACR1 P25103 3/20 0.43
SORT1 Q99523 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
MAPK14 Q16539 1/20 0.41
ADORA2B P29275 3/20 0.41
ADORA2A P29274 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC4 P56524 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
CCR1 P32246 1/20 0.40

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
SCHEMBL4193109 1.00 CETP (0.48) CETPTACR1SORT1CYP11B1CYP11B2
SCHEMBL4455320 1.00 CETP (0.48) CETPTACR1SORT1CYP11B1CYP11B2
SCHEMBL4181225 0.89 CETP (0.45) CETPTACR1SORT1ADORA2BL3MBTL1
SCHEMBL4178661 0.89 CETP (0.45) CETPTACR1SORT1ADORA2BL3MBTL1
SCHEMBL4185837 0.89 CETP (0.45) CETPTACR1SORT1ADORA2BL3MBTL1
SCHEMBL4192558 0.85 SUCNR1 (0.42) CETPSORT1ADORA2BADORA2AMEN1
SCHEMBL4187474 0.85 SUCNR1 (0.42) CETPSORT1ADORA2BADORA2AMEN1
SCHEMBL4191546 0.85 SUCNR1 (0.42) CETPSORT1ADORA2BADORA2AMEN1
SCHEMBL13625387 0.83 CYP11B1 (0.41) CETPTACR1CYP11B1CYP11B2HDAC4
SCHEMBL13625412 0.82 MEN1 (0.41) CETPSORT1ADORA2BHSP90AA1HSP90AB1

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-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 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-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS SHBG, AR, FSHR CETP 2281/4885TACR1 3877/4885SORT1 3905/4885

“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.