SCHEMBL4178661

SCHEMBL4178661

O=C(NCc1cncc(C(F)(F)F)c1)[C@@](O)(c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.45
AR P10275 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
VNN1 O95497 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42
CCR1 P32246 3/20 0.41
TACR1 P25103 1/20 0.40
CCR2 P41597 1/20 0.40
ADORA2B P29275 3/20 0.39
SORT1 Q99523 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MTOR P42345 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MLYCD O95822 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL4185837 1.00 CETP (0.45) CETPARMEN1KMT2AVNN1
SCHEMBL4181225 1.00 CETP (0.45) CETPARMEN1KMT2AVNN1
SCHEMBL4464924 0.89 CETP (0.48) CETPMEN1KMT2ASUCNR1CCR1
SCHEMBL4455320 0.89 CETP (0.48) CETPMEN1KMT2ASUCNR1CCR1
SCHEMBL4193109 0.89 CETP (0.48) CETPMEN1KMT2ASUCNR1CCR1
SCHEMBL4187474 0.88 SUCNR1 (0.42) CETPMEN1KMT2ASUCNR1ADORA2B
SCHEMBL4192558 0.88 SUCNR1 (0.42) CETPMEN1KMT2ASUCNR1ADORA2B
SCHEMBL4191546 0.88 SUCNR1 (0.42) CETPMEN1KMT2ASUCNR1ADORA2B
SCHEMBL13625412 0.85 MEN1 (0.41) CETPMEN1KMT2ASUCNR1ADORA2B
SCHEMBL4189782 0.83 RORC (0.40) CETPVNN1SUCNR1CCR2L3MBTL1

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 CETP 2281/4885AR 2/4885MEN1 3784/4885

“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.