SCHEMBL537272

SCHEMBL537272

CCOc1cc(C(CC(=O)COC(C)(C)C)C([NH])=O)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PAX8 Q06710 1/20 0.40
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
TNF P01375 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL537354 0.82 LMNA (0.45) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4684865 0.74 HIF1A (0.57) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4367528 0.70 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4825458 0.70 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4823187 0.69 LMNA (0.55) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4822401 0.69 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL28025841 0.69 PDE4B (0.58) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL20459369 0.68 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL31190158 0.68 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL28048197 0.68 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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 PDE4A 6/4885PDE4B 10/4885PDE4C 8/4885
US-20040147588-A1 Pharmaceutically active isoindoline derivatives PDE3A, PDE5A, PDE2A PDE4A 6/4885PDE4B 14/4885PDE4C 10/4885

“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.