SCHEMBL5546898

SCHEMBL5546898

O=C(NC1CCC(NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1)c1ccc(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.47
PDE4A P27815 1/20 0.47
PDE4D Q08499 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HPGD P15428 1/20 0.38
PDK1 Q15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL435172 0.91 PDE4B (0.56) PDE4BPDE4APDE4DTAS1R3TAS1R1
SCHEMBL4886574 0.91 PDE4B (0.56) PDE4BPDE4APDE4DTAS1R3TAS1R1
SCHEMBL5552570 0.91 PDE4B (0.48) PDE4BPDE4APDE4DTAS1R3TAS1R1
SCHEMBL4182884 0.89 PDE4B (0.50) PDE4BPDE4APDE4DHPGD
SCHEMBL13929105 0.89 PDE4B (0.50) PDE4BPDE4APDE4DHPGD
SCHEMBL8303245 0.89 PDE4B (0.50) PDE4BPDE4APDE4DHPGD
SCHEMBL4187256 0.89 PDE4B (0.45) PDE4BPDE4APDE4DHPGDCYP3A4
SCHEMBL13929027 0.89 PDE4B (0.43) PDE4BPDE4APDE4DHPGD
SCHEMBL13929009 0.89 PDE4B (0.45) PDE4BPDE4APDE4DHPGDCYP3A4
SCHEMBL4186392 0.89 PDE4B (0.43) PDE4BPDE4APDE4DHPGD

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
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 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 (2 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-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885PDE4D 5/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT PDE4B 719/4885PDE4A 1024/4885PDE4D 1102/4885

“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.