SCHEMBL4200607

SCHEMBL4200607

COc1ccc(C)cc1S(=O)(=O)NC1CCC(NC(=O)c2cccnc2OC2CCSCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL13929028 1.00 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2TP53CASP1KMT2A
SCHEMBL4188864 0.83 CNR2 (0.39) KMT2AMEN1CNR1CNR2
SCHEMBL13929031 0.83 CNR2 (0.39) KMT2AMEN1CNR1CNR2
SCHEMBL4200635 0.80 CNR2 (0.44) L3MBTL1CNR1CNR2ALDH1A1
SCHEMBL6323279 0.78 CNR2 (0.44) L3MBTL1CNR1CNR2ALDH1A1
SCHEMBL4191375 0.76 PDE4B (0.38) KMT2AMEN1CNR1CNR2
SCHEMBL13929029 0.76 PDE4B (0.38) KMT2AMEN1CNR1CNR2
SCHEMBL8299116 0.76 CNR2 (0.48) L3MBTL1CNR1CNR2ALDH1A1KDM4E
SCHEMBL6012264 0.76 CNR2 (0.60) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL13929052 0.75 CNR2 (0.47) L3MBTL1CNR1CNR2

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 8 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
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
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
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 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 (4 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 L3MBTL1 4529/4885SMN1; SMN2 2287/4885TP53 3528/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C L3MBTL1 4649/4885SMN1; SMN2 1937/4885TP53 4659/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT L3MBTL1 4529/4885SMN1; SMN2 2287/4885TP53 3528/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT L3MBTL1 4529/4885SMN1; SMN2 2287/4885TP53 3528/4885

“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.