SCHEMBL3973072

SCHEMBL3973072

COC(=O)COc1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADAMTS4 O75173 1/20 0.49
MAP4K4 O95819 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PSMB8 P28062 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CD274 Q9NZQ7 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL22568324 0.96 MEN1 (0.54) CYP17A1MEN1KMT2APOLBL3MBTL1
SCHEMBL4856473 0.85 EPHX2 (0.54) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13827429 0.83 CYP17A1 (0.49) CYP17A1MEN1KMT2AADAMTS4ALDH1A1
SCHEMBL3616219 0.83 MAPT (0.57) CYP17A1MEN1KMT2AADAMTS4ALDH1A1
SCHEMBL3978246 0.83 CYP17A1 (0.58) CYP17A1KMT2APOLBL3MBTL1MAP4K4
SCHEMBL20865536 0.82 CYP17A1 (0.68) CYP17A1L3MBTL1MAP4K4PSMB8SMN1; SMN2
SCHEMBL20865538 0.81 CYP17A1 (0.59) CYP17A1L3MBTL1ADAMTS4MAP4K4HPGD
SCHEMBL594716 0.80 CYP17A1 (0.52) CYP17A1ADAMTS4MAP4K4ALDH1A1PSMB8
SCHEMBL8575829 0.80 KMT2A (0.63) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL14652405 0.79 MAPT (0.53) MEN1KMT2APOLBL3MBTL1HPGD

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-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US disclosed
EP-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP disclosed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 US disclosed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 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-20060020003-A1 Biphenyloxy-acids AHR, ARNT, NR1H4 CYP17A1 194/4885MEN1 3931/4885KMT2A 894/4885

“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.