SCHEMBL677353

SCHEMBL677353

COc1ccc([C@@H](CS(C)(=O)=O)N2Cc3cccc(NC(=O)C4CC4)c3C2=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.46
PDE4C Q08493 11/20 0.46
PDE4A P27815 5/20 0.46
PDE4D Q08499 5/20 0.46
HTR2B P41595 1/20 0.46
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL14924755 1.00 PDE4B (0.46) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15580983 0.92 GAA (0.41) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL2031572 0.92 PDE4B (0.46) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL2031569 0.92 PDE4B (0.46) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL14924757 0.91 MAPT (0.41) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15580987 0.91 GAA (0.41) PDE4BPDE4CPDE4APDE4DHTR2B
Dovramilast SCHEMBL14983202 0.90 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B
Dovramilast SCHEMBL30701938 0.90 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B
Dovramilast SCHEMBL15869364 0.90 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B
Dovramilast SCHEMBL29366888 0.90 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9387195-B2 Methods for treating diseases using isoindoline compounds CELGENE CORPORATION (US) 2016-07-12 US disclosed
US-20140187599-A1 METHODS FOR TREATING DISEASES USING ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2014-07-03 US disclosed
US-20110104144-A1 METHODS FOR TREATING CUTANEOUS LUPUS USING AMINOISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2011-05-05 US disclosed
US-20070155791-A1 Methods for treating cutaneous lupus using aminoisoindoline compounds CELGENE CORPORATION 2007-07-05 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 (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-20070155791-A1 Methods for treating cutaneous lupus using aminoisoindoline compounds SSB, ARG2, ARGLU1 PDE4B 2118/4885PDE4C 2322/4885PDE4A 2497/4885
US-20110104144-A1 METHODS FOR TREATING CUTANEOUS LUPUS USING AMINOISOINDOLINE COMPOUNDS SSB, ARG2, ARGLU1 PDE4B 2118/4885PDE4C 2322/4885PDE4A 2497/4885
US-20140187599-A1 METHODS FOR TREATING DISEASES USING ISOINDOLINE COMPOUNDS UACA, TOP2A, AR PDE4B 1783/4885PDE4C 1641/4885PDE4A 1119/4885

“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.