SCHEMBL3426604

SCHEMBL3426604

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 17/20 1.00
MTOR P42345 1/20 0.79
FKBP4 Q02790 1/20 0.79
FKBP5 Q13451 1/20 0.79

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
SCHEMBL7396367 0.97 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL5834555 0.97 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL8099641 0.91 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL3148722 0.90 FKBP1A (0.82) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL2542494 0.89 FKBP1A (0.96) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL7187 0.89 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL4766380 0.89 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL182073 0.88 FKBP1A (0.95) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL2191097 0.88 FKBP1A (0.98) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL7324245 0.88 FKBP1A (0.98) FKBP1AMTORFKBP4FKBP5

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
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20110218343-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GLIAMED, INC. (US) 2011-09-08 US disclosed
US-20110218343-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GLIAMED, INC. (US) 2011-09-08 US disclosed
US-7960570-B2 Small molecule inhibitors of rotamase enzyme activity GLIAMED, INC. (US) 2011-06-14 US disclosed
US-7960570-B2 Small molecule inhibitors of rotamase enzyme activity GLIAMED, INC. (US) 2011-06-14 US disclosed
EP-2242838-A1 STEM-LIKE CELLS AND METHOD FOR REPROGRAMMING ADULT MAMMALIAN SOMATIC CELLS GliaMed, Inc. (US) 2010-10-27 EP disclosed
US-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GLIAMED, INC. (US) 2010-06-10 US disclosed
US-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GLIAMED, INC. (US) 2010-06-10 US disclosed
US-7652060-B2 Neurotrophic N-glyoxyl-prolyl ester compounds e.g. 3-phenyl-1-propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate; non-immunosuppressive; side effect reduction; neurodegenerative diseases Glia Med, Inc (US) 2010-01-26 US disclosed
US-7652060-B2 Neurotrophic N-glyoxyl-prolyl ester compounds e.g. 3-phenyl-1-propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate; non-immunosuppressive; side effect reduction; neurodegenerative diseases Glia Med, Inc (US) 2010-01-26 US disclosed
WO-2009079007-A1 STEM-LIKE CELLS AND METHOD FOR REPROGRAMMING ADULT MAMMALIAN SOMATIC CELLS GLIAMED, INC. (US) 2009-06-25 WO disclosed
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors HAMILTON GREGORY S 2008-03-27 US disclosed
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors HAMILTON GREGORY S 2008-03-27 US disclosed
US-20020042377-A1 Rotamase enzyme activity inhibitors GUILFORD PHARMACEUTICALS INC. 2002-04-11 US disclosed
US-6333340-B1 SULFONAMIDES WITH OXO, ESTER OR AMIDE GROUPS FOR VISION DEFECTS AND COGNITION ACTIVATORS GPI NIL HOLDINGS, INC. 2001-12-25 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 (6 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-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY FKBP8, FKBP1A, FKBP2 FKBP1A 2/4885MTOR 870/4885FKBP4 8/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS FKBP1A 1249/4885MTOR 1870/4885FKBP4 1608/4885
US-20020042377-A1 Rotamase enzyme activity inhibitors BDNF, FKBP1A, FKBP14 FKBP1A 2/4885MTOR 742/4885FKBP4 6/4885
US-20110218343-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY FKBP8, FKBP1A, FKBP2 FKBP1A 2/4885MTOR 870/4885FKBP4 8/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 FKBP1A 2838/4885MTOR 837/4885FKBP4 3860/4885
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors FKBP8, FKBP1A, FKBP2 FKBP1A 2/4885MTOR 453/4885FKBP4 8/4885

“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.