SCHEMBL4187256

SCHEMBL4187256

COc1cc(O)ccc1C(=O)NC1CCC(NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.45
PDE4A P27815 1/20 0.45
PDE4D Q08499 1/20 0.45
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ULK1 O75385 1/20 0.38
GAK O14976 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL13929009 1.00 PDE4B (0.45) PDE4BPDE4APDE4DALDH1A1HPGD
SCHEMBL13929026 0.91 PDE4B (0.46) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL4188763 0.91 PDE4B (0.46) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL4186392 0.91 PDE4B (0.43) PDE4BPDE4APDE4DHPGD
SCHEMBL13929027 0.91 PDE4B (0.43) PDE4BPDE4APDE4DHPGD
SCHEMBL5546898 0.89 PDE4B (0.47) PDE4BPDE4APDE4DHPGDCYP3A4
SCHEMBL8302736 0.89 PDE4B (0.43) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL4193943 0.89 PDE4B (0.43) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL8302740 0.84 PDE4B (0.46) PDE4BPDE4APDE4DHPGD
SCHEMBL4886574 0.84 PDE4B (0.56) PDE4BPDE4APDE4DHPGDKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US claimed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 US claimed

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-20050020611-A1 Compounds NQO1, NAMPT, NNT PDE4B 719/4885PDE4A 1024/4885PDE4D 1102/4885
US-20090035313-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.