SCHEMBL5551278

SCHEMBL5551278

Cc1ccc(S(=O)(=O)NC2CCC(NC(=O)c3cc(F)cnc3OC3CCSCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.47
PDE4A P27815 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.38
FPR1 P21462 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
KIT P10721 1/20 0.36
TYK2 P29597 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
CRHR1 P34998 1/20 0.36

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
SCHEMBL5551247 0.86 PDE4B (0.42) PDE4BPDE4APDE4DPOLBTYK2
SCHEMBL435172 0.84 PDE4B (0.56) PDE4BPDE4APDE4DHPGDTYK2
SCHEMBL4886574 0.84 PDE4B (0.56) PDE4BPDE4APDE4DHPGDTYK2
SCHEMBL8302740 0.82 PDE4B (0.46) PDE4BPDE4APDE4DHPGDTYK2
SCHEMBL8303135 0.80 PDE4B (0.44) PDE4BPDE4APDE4DHPGDTYK2
SCHEMBL4187279 0.80 PDE4B (0.44) PDE4BPDE4APDE4DHPGDTYK2
SCHEMBL5547933 0.80 PDE4B (0.55) PDE4BPDE4APDE4DALDH1A1HPGD
SCHEMBL5550866 0.80 PDE4B (0.47) PDE4BPDE4APDE4D
SCHEMBL13929017 0.80 PDE4B (0.50) PDE4BPDE4APDE4DALDH1A1POLB
SCHEMBL4191409 0.80 PDE4B (0.50) PDE4BPDE4APDE4DCRHR1

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.