SCHEMBL3672393

SCHEMBL3672393

COc1ccc2c(NCC(=O)O)cc(=O)oc2c1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.61
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
ALDH1A1 P00352 1/20 0.43
MIF P14174 1/20 0.43
HPGD P15428 1/20 0.43
MAOA P21397 1/20 0.42
KMT2A Q03164 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
SCHEMBL3676630 0.91 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3678111 0.90 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMAOA
SCHEMBL3672240 0.89 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3678364 0.82 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMAOA
SCHEMBL3678361 0.82 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMAOA
SCHEMBL3678492 0.82 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3675552 0.78 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3675535 0.77 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3672452 0.77 PDE4B (0.73) PDE4BPDE4APDE4CPDE4DMAOA
SCHEMBL3675674 0.77 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D

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 7 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-7745646-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2010-06-29 US disclosed
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
US-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 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 PDE4B 2/4885PDE4A 1/4885PDE4C 3/4885

“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.