SCHEMBL537176

SCHEMBL537176

CCOc1cc([C@@H](CC(=O)N(C)C)N2Cc3cccc(N)c3C2=O)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.52
PDE4B Q07343 11/20 0.52
PDE4C Q08493 11/20 0.52
PDE4D Q08499 11/20 0.52
TP53 P04637 2/20 0.51
TNF P01375 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL4025661 0.91 TP53 (0.43) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL3556554 0.90 TP53 (0.55) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL3554030 0.89 PDE4B (0.59) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL3558078 0.87 TP53 (0.53) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL3530383 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL15252405 0.87 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL1829132 0.86 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL8288776 0.86 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL2465157 0.86 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL537211 0.86 PDE4B (0.59) PDE4APDE4BPDE4CPDE4DTP53

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2263669-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2012-02-08 EP disclosed
EP-2255801-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
US-8026269-B2 Isoindoline compounds and methods of making and using the same CELGENE CORPORATION (US) 2011-09-27 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-20070244183-A1 Isoindoline compounds and methods of making and using the same CELGENE CORPORATION 2007-10-18 US disclosed
US-7244759-B2 Isoindoline compounds and methods of making and using the same CELGENE CORPORATION (US) 2007-07-17 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-20060084815-A1 Isoindoline compounds and methods of making and using the same AMGEN INC. 2006-04-20 US 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 (3 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-20040147588-A1 Pharmaceutically active isoindoline derivatives PDE3A, PDE5A, PDE2A PDE4A 6/4885PDE4B 14/4885PDE4C 10/4885
US-20070244183-A1 Isoindoline compounds and methods of making and using the same MCL1, HPGDS, TPMT PDE4A 1112/4885PDE4B 1194/4885PDE4C 1258/4885
US-20060084815-A1 Isoindoline compounds and methods of making and using the same MCL1, HPGDS, TPMT PDE4A 1112/4885PDE4B 1194/4885PDE4C 1258/4885

“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.