SCHEMBL4187474

SCHEMBL4187474

O=C(NCc1cncc(C(F)(F)F)c1)[C@@](O)(c1ccc(F)c(F)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.42
ADORA2B P29275 4/20 0.38
SORT1 Q99523 2/20 0.38
CETP P11597 1/20 0.38
MTOR P42345 1/20 0.38
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38
GLS O94925 4/20 0.37
NAMPT P43490 2/20 0.37
MLYCD O95822 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.36
PDPK1 O15530 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
SCHEMBL4191546 1.00 SUCNR1 (0.42) SUCNR1ADORA2BSORT1CETPMTOR
SCHEMBL4192558 1.00 SUCNR1 (0.42) SUCNR1ADORA2BSORT1CETPMTOR
SCHEMBL13625412 0.90 MEN1 (0.41) SUCNR1ADORA2BSORT1CETPMTOR
SCHEMBL4178661 0.88 CETP (0.45) SUCNR1ADORA2BSORT1CETPMTOR
SCHEMBL4181225 0.88 CETP (0.45) SUCNR1ADORA2BSORT1CETPMTOR
SCHEMBL4185837 0.88 CETP (0.45) SUCNR1ADORA2BSORT1CETPMTOR
SCHEMBL4455320 0.85 CETP (0.48) SUCNR1ADORA2BSORT1CETPMEN1
SCHEMBL4193109 0.85 CETP (0.48) SUCNR1ADORA2BSORT1CETPMEN1
SCHEMBL4464924 0.85 CETP (0.48) SUCNR1ADORA2BSORT1CETPMEN1
SCHEMBL4190731 0.84 SUCNR1 (0.38) SUCNR1KDM1AHDAC1NAMPT

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-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 US disclosed
EP-2083624-A2 2-HYDROXY-2-PHENYL/THIOPHENYL PROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008048540-A2 2-HYDROXY-2-PHENYL/THIOPHENYL PROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-04-24 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-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS SHBG, AR, FSHR SUCNR1 2093/4885ADORA2B 1725/4885SORT1 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.