SCHEMBL536928

SCHEMBL536928

CCOc1cc(C(CC(=O)O)NC(=O)OC(C)(C)C)ccc1OC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
KMT2A Q03164 2/20 0.57
LMNA P02545 4/20 0.56
POLB P06746 3/20 0.55
PDE4A P27815 4/20 0.50
PDE4B Q07343 4/20 0.50
PDE4C Q08493 4/20 0.50
PDE4D Q08499 4/20 0.50
NPSR1 Q6W5P4 3/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.47
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL1828546 0.92 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ALMNAPOLBPDE4A
SCHEMBL1828543 0.92 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ALMNAPOLBPDE4A
SCHEMBL3350832 0.92 POLB (0.61) SMN1; SMN2KMT2ALMNAPOLBITGB3
SCHEMBL3792356 0.90 NPSR1 (0.52) SMN1; SMN2KMT2ALMNAPOLBPDE4A
SCHEMBL537177 0.87 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ALMNAPOLBPDE4A
SCHEMBL3552863 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ALMNAPOLBPDE4A
SCHEMBL2998889 0.87 NPSR1 (0.51) SMN1; SMN2KMT2ALMNAPOLBPDE4A
SCHEMBL3552861 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ALMNAPOLBPDE4A
SCHEMBL20026414 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ALMNAPOLBPDE4A
SCHEMBL2989249 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ALMNAPOLBPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698334-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2006-09-06 EP claimed
US-RE45685-E1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2015-09-29 US disclosed
EP-1228071-B8 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2012-02-29 EP disclosed
EP-2255801-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2012-02-08 EP disclosed
EP-2263669-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2012-02-08 EP disclosed
US-8030343-B2 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2011-10-04 US disclosed
EP-1698334-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2011-04-20 EP disclosed
EP-2263669-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2010-12-22 EP disclosed
EP-2255801-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2010-12-01 EP disclosed
US-7678825-B2 Pharmaceutically active isoindoline derivates CELGENE CORPORATION (US) 2010-03-16 US disclosed
US-20080221196-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION 2008-09-11 US disclosed
EP-1228071-B1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2007-03-28 EP disclosed
EP-1698334-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2006-09-06 EP disclosed
US-20040147588-A1 Pharmaceutically active isoindoline derivatives MAN HON-WAH 2004-07-29 US disclosed
US-6667316-B1 Amido or imido functionality; tumor necrosis factor alpha, phosphodiesterases, matrix metalloproteases and angiogenesis inhibitors CELGENE CORPORATION 2003-12-23 US disclosed
EP-1228071-A4 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2002-12-04 EP disclosed
EP-1228071-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2002-08-07 EP disclosed
WO-2001034606-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2001-05-17 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 (2 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-20080221196-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES PDE3A, PDE2A, PDE5A SMN1; SMN2 811/4885KMT2A 1298/4885LMNA 2777/4885
US-20040147588-A1 Pharmaceutically active isoindoline derivatives PDE3A, PDE5A, PDE2A SMN1; SMN2 1013/4885KMT2A 1774/4885LMNA 3128/4885

“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.