SCHEMBL29254

SCHEMBL29254

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](CO)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
POLB P06746 1/20 0.41
AGTR2 P50052 1/20 0.40
HTR2C P28335 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PREP P48147 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 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
SCHEMBL18962 1.00 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL9026282 1.00 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL15958482 1.00 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL8833139 1.00 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL115984 0.92 PDK1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL9370028 0.92 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL9370027 0.92 ABCB1 (0.43) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL10390740 0.90 ABCB1 (0.42) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL14348092 0.90 ABCB1 (0.42) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL6803097 0.89 POLB (0.43) PDK1PDK2PDK3PDK4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096855-A1 DEGRADERS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2025-05-08 WO disclosed
US-20240300965-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-12 US disclosed
US-11999746-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-06-04 US disclosed
EP-2867238-B1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-08-09 EP disclosed
US-20170204109-A1 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-20 US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 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 (7 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 ABCB1 1864/4885PDK1 122/4885PDK2 445/4885
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 ABCB1 1154/4885PDK1 2173/4885PDK2 2205/4885
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ABCB1 53/4885PDK1 3211/4885PDK2 3126/4885
US-20240300965-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B ABCB1 2233/4885PDK1 2346/4885PDK2 1536/4885
US-11999746-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B ABCB1 2233/4885PDK1 2346/4885PDK2 1536/4885
US-20170204109-A1 Compounds PLAAT2, PLA2G12A, PLA2G1B ABCB1 2233/4885PDK1 2346/4885PDK2 1536/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 ABCB1 2002/4885PDK1 128/4885PDK2 481/4885

“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.