SCHEMBL4454875

SCHEMBL4454875

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.45
HSD11B1 P28845 1/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 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
SCHEMBL30031482 1.00 KCNN4 (0.45) KCNN4HSD11B1RAB9ANPC1MAPK1
SCHEMBL583285 0.83 CYP1A2 (0.46) RAB9ANPC1MAPK1CES1MAPT
SCHEMBL9888570 0.83 CYP1A2 (0.46) RAB9ANPC1MAPK1CES1MAPT
SCHEMBL30450959 0.83 CYP1A2 (0.46) RAB9ANPC1MAPK1CES1MAPT
SCHEMBL997814 0.83 CYP1A2 (0.46) RAB9ANPC1MAPK1CES1MAPT
SCHEMBL5112000 0.82 KCNN4 (0.59) KCNN4HSD11B1RAB9ANPC1MAPK1
SCHEMBL17416730 0.82 PTGS1 (0.42) RAB9ANPC1MAPK1MEN1MAPT
SCHEMBL3615410 0.82 CA2 (0.48) RAB9ANPC1MAPK1MEN1MAPT
SCHEMBL7179568 0.77 RAB9A (0.49) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL31560794 0.77 KCNN4 (0.47) KCNN4HSD11B1RAB9ANPC1MAPK1

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 4 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
US-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 US disclosed
US-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 US 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 KCNN4 3351/4885HSD11B1 85/4885RAB9A 4256/4885

“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.