SCHEMBL3978246

SCHEMBL3978246

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ PSMB8 P28062 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ PDK1 Q15118 1/20 0.51
▸ PDK2 Q15119 1/20 0.51
▸ PDK3 Q15120 1/20 0.51
▸ PDK4 Q16654 1/20 0.51
▸ PLAU P00749 1/20 0.51

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
SCHEMBL1342005 0.95 SMN1; SMN2 (0.61) CYP17A1SMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL20865536 0.90 CYP17A1 (0.68) CYP17A1SMN1; SMN2PSMB8HTTMAP4K4
SCHEMBL20865538 0.89 CYP17A1 (0.59) CYP17A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL7079625 0.86 RAB9A (0.73) SMN1; SMN2RAB9ANPC1CYP1A2CYP2D6
SCHEMBL13055402 0.84 CYP17A1 (0.59) CYP17A1SMN1; SMN2PSMB8ALDH1A1GAA
SCHEMBL30403272 0.84 KMT2A (0.56) CYP17A1SMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL18570243 0.83 CYP17A1 (0.61) CYP17A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL3968632 0.83 CYP17A1 (0.61) CYP17A1SMN1; SMN2PSMB8TP53ALDH1A1
SCHEMBL22816953 0.83 EPHX2 (0.59) CYP17A1PSMB8GAAMAP4K4L3MBTL1
SCHEMBL29131710 0.83 HPGD (0.59) CYP17A1SMN1; SMN2RAB9ANPC1HPGD

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 194/4885SMN1; SMN2 4625/4885RAB9A 3094/4885

“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.

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