SCHEMBL3680200

SCHEMBL3680200

COc1ccc2c(OS(=O)(=O)c3ccc(C)cc3)cc(=O)oc2c1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 8/20 0.52
PDE4B Q07343 1/20 0.51
ALPI P09923 6/20 0.48
MAOA P21397 2/20 0.46
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3674037 0.83 ALPL (0.51) ALPLALPIMAOAMAPTGAA
SCHEMBL3675552 0.78 PDE4B (0.60) PDE4BMAOAALDH1A1HPGDKMT2A
SCHEMBL3678492 0.77 PDE4B (0.62) PDE4BMAOAALDH1A1HPGDKMT2A
SCHEMBL3675535 0.77 PDE4B (0.68) PDE4BMAOAALDH1A1HPGDMCL1
SCHEMBL5670908 0.70 MAOB (0.58) ALPLALPIGAAALDH1A1HPGD
SCHEMBL3676884 0.70 PDE4B (0.81) PDE4BMAOA
SCHEMBL3672393 0.69 PDE4B (0.61) PDE4BMAOAALDH1A1HPGDKMT2A
SCHEMBL3672240 0.69 PDE4B (0.58) PDE4BMAOAALDH1A1LMNAKMT2A
SCHEMBL3672452 0.69 PDE4B (0.73) PDE4BMAOA
SCHEMBL3676630 0.69 PDE4B (0.60) PDE4BMAOAALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745646-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2010-06-29 US disclosed
US-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 US disclosed
WO-2008006051-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALPL 1925/4885PDE4B 2/4885ALPI 1202/4885

“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.