SCHEMBL2111135

SCHEMBL2111135

COc1ccc(NC(=O)C(C)(O)COc2ccc(OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.60
PDK2 Q15119 1/20 0.60
PDK3 Q15120 1/20 0.60
PDK4 Q16654 1/20 0.60
AR P10275 7/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL2111131 1.00 PDK1 (0.60) PDK1PDK2PDK3PDK4AR
SCHEMBL9976650 0.94 MEN1 (0.60) PDK1PDK2PDK3PDK4AR
SCHEMBL2112222 0.88 AR (0.55) AR
SCHEMBL2112220 0.88 AR (0.55) AR
SCHEMBL18671320 0.84 AR (0.74) ARRAB9A
SCHEMBL20326715 0.83 PDK1 (0.51) PDK1PDK2PDK3PDK4AR
SCHEMBL12591111 0.83 PDK1 (0.51) PDK1PDK2PDK3PDK4AR
SCHEMBL2112168 0.83 PDK1 (0.61) PDK1PDK2PDK3PDK4AR
SCHEMBL2112169 0.83 PDK1 (0.61) PDK1PDK2PDK3PDK4AR
SCHEMBL2767389 0.82 AR (0.64) AR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US claimed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US claimed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
EP-2455362-A1 Nuclear receptor binding agents GTX, Inc. (US) 2012-05-23 EP disclosed
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 US disclosed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US 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 (4 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-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 PDK1 3383/4885PDK2 3410/4885PDK3 3227/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 PDK1 1689/4885PDK2 2765/4885PDK3 1897/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 PDK1 1689/4885PDK2 2765/4885PDK3 1897/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 PDK1 1689/4885PDK2 2765/4885PDK3 1897/4885

“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.