SCHEMBL4338245

SCHEMBL4338245

COc1ccc(-c2cn(S(=O)(=O)c3ccc(C)c4ccccc34)c3ncccc23)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.41
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
OGG1 O15527 1/20 0.37
HTT P42858 1/20 0.37
SCN9A Q15858 1/20 0.37
LMNA P02545 1/20 0.36
KIT P10721 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRKCA P17252 1/20 0.36
GSK3B P49841 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
SCHEMBL4343775 0.87 HTR6 (0.42) BRD4ALDH1A1PDE4APDE4BPDE4C
SCHEMBL4333431 0.85 NOD2 (0.47) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL4330189 0.83 PDE4D (0.50) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL4334958 0.83 BRD4 (0.40) BRD4ALDH1A1PDE4APDE4BPDE4C
SCHEMBL4341437 0.82 LMNA (0.47) ALDH1A1GAAMAPK1LMNA
SCHEMBL13666638 0.82 TSHR (0.41) BRD4ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL4342181 0.81 CYP17A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL4337652 0.80 MEN1 (0.48) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL4329436 0.80 TSHR (0.41) BRD4ALDH1A1PDE4APDE4BPDE4C
SCHEMBL4337399 0.80 PDE4A (0.45) BRD4ALDH1A1HSD17B10PDE4APDE4B

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-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
EP-1786813-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2007-05-23 EP disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C BRD4 40/4885ALDH1A1 1580/4885HSD17B10 1926/4885

“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.