SCHEMBL4948958

SCHEMBL4948958

COC(=O)c1ccc(C)c(-c2nc(SC)nc3c2cc(C(=O)O)c(=O)n3-c2c(F)cccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 2/20 0.41
MAPK14 Q16539 8/20 0.39
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE7A Q13946 2/20 0.36
PDE7B Q9NP56 2/20 0.36
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 3/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK13 O15264 1/20 0.34
RAF1 P04049 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL14046339 0.88 PDE7A (0.39) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL4946888 0.86 IL2 (0.41) IL2MAPK14PDE4APDE4BPDE4C
SCHEMBL4950735 0.83 HSP90AB1 (0.40) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL2719589 0.80 MAPK14 (0.44) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL5584207 0.76 MAPK14 (0.38) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL4945708 0.75 MAPK13 (0.38) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL2721566 0.74 LMNA (0.41) MAPK14ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL2719618 0.73 MAPK14 (0.50) MAPK14MAPK13RAF1PDGFRAMAPKAPK2
SCHEMBL2720800 0.73 MAPK14 (0.37) MAPK14ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL2721754 0.72 TP53 (0.42) SMN1; SMN2KDM4ELMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080268044-A1 Novel Process and Formulations GLAXO GROUP LIMITED 2008-10-30 US claimed
US-20080268044-A1 Novel Process and Formulations GLAXO GROUP LIMITED 2008-10-30 US disclosed
US-20080268044-A1 Novel Process and Formulations GLAXO GROUP LIMITED 2008-10-30 US disclosed
US-20080268044-A1 Novel Process and Formulations GLAXO GROUP LIMITED 2008-10-30 US disclosed
WO-2007059500-A2 NOVEL PROCESS AND FORMULATIONS GLAXO GROUP LIMITED (GB) 2007-05-24 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 (1 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-20080268044-A1 Novel Process and Formulations UGT1A7, UGT2B7, CYP3A7 IL2 1468/4885MAPK14 2969/4885PDE4A 344/4885

“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.