SCHEMBL3552861

SCHEMBL3552861

CCOc1cc([C@@H](CC(C)(C)O)NC(=O)OC(C)(C)C)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
TP53 P04637 1/20 0.40
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 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
SCHEMBL3552863 1.00 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPSR1MAPTPOLB
SCHEMBL1828543 0.88 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPSR1MAPTPOLB
SCHEMBL1828546 0.88 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPSR1MAPTPOLB
SCHEMBL20026414 0.87 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPSR1MAPTPOLB
SCHEMBL2998889 0.87 NPSR1 (0.51) SMN1; SMN2LMNANPSR1MAPTPOLB
SCHEMBL536928 0.87 SMN1; SMN2 (0.62) SMN1; SMN2LMNANPSR1MAPTPOLB
SCHEMBL3792356 0.86 NPSR1 (0.52) SMN1; SMN2LMNANPSR1MAPTPOLB
SCHEMBL2989249 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1MAPTPOLB
SCHEMBL20026415 0.85 PDE4B (0.48) SMN1; SMN2LMNANPSR1MAPTPOLB
SCHEMBL537177 0.83 SMN1; SMN2 (0.48) SMN1; SMN2LMNANPSR1MAPTPOLB

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
EP-1605896-B1 7-AMINO- ISOINDOLYL COMPOUNDS AMD THEIR PHARMACEUTICAL USES CELGENE CORP (US) 2013-09-18 EP disclosed
US-7799819-B2 7-Amido-isoindolyl compounds and their pharmaceutical uses CELGENE CORPORATION (US) 2010-09-21 US disclosed
US-20090131505-A1 7-Amido-isoindolyl Compounds and Their Pharmaceutical Uses MAN HON-WAH 2009-05-21 US disclosed
US-7511072-B2 7-amido-isoindolyl compounds and methods of its use CELGENE CORPORATION (US) 2009-03-31 US disclosed
US-20070254942-A1 7-amido-isoindolyl compounds and methods of its use CELGENE CORPORATION. 2007-11-01 US disclosed
US-7256210-B2 7-amido-isoindolyl compounds and methods of their use CELGENE CORPORATION (US) 2007-08-14 US disclosed
US-7034052-B2 7-Amido-isoindolyl compounds and their pharmaceutical uses CELGENE CORPORATION (US) 2006-04-25 US disclosed
US-20060058362-A1 7-Amido-isoindolyl compounds and methods of their use MAN HON-WAH 2006-03-16 US disclosed
EP-1605896-A2 7-AMINO- ISOINDOLYL COMPOUNDS AMD THEIR PHARMACEUTICAL USES CELGENE CORPORATION (US) 2005-12-21 EP disclosed
US-20040254214-A1 7-Amido-isoindolyl compounds and their pharmaceutical uses CELGENE CORPORATION 2004-12-16 US disclosed
WO-2004080423-A2 7-AMINO- ISOINDOLYL COMPOUNDS AMD THEIR PHARMACEUTICAL USES CELGENE CORPORATION (US) 2004-09-23 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 (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-20060058362-A1 7-Amido-isoindolyl compounds and methods of their use MCL1, APC, HPGDS SMN1; SMN2 203/4885LMNA 369/4885NPSR1 4683/4885
US-20040254214-A1 7-Amido-isoindolyl compounds and their pharmaceutical uses MCL1, APC, THPO SMN1; SMN2 242/4885LMNA 397/4885NPSR1 4429/4885
US-20090131505-A1 7-Amido-isoindolyl Compounds and Their Pharmaceutical Uses THPO, MCL1, HPGDS SMN1; SMN2 332/4885LMNA 1767/4885NPSR1 4511/4885
US-20070254942-A1 7-amido-isoindolyl compounds and methods of its use MCL1, THPO, APC SMN1; SMN2 274/4885LMNA 1288/4885NPSR1 4760/4885

“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.