SCHEMBL4334958

SCHEMBL4334958

COc1ccc(-c2cn(S(=O)(=O)c3csc4ccccc34)c3ncccc23)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
GHSR Q92847 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
ERN1 O75460 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER2 P43116 2/20 0.35

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 0.83 HTR6 (0.42) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL4333431 0.83 NOD2 (0.47) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL4338245 0.83 BRD4 (0.41) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL4330189 0.81 PDE4D (0.50) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL4337652 0.81 MEN1 (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4341437 0.81 LMNA (0.47) ALDH1A1GAALMNAMEN1RAB9A
SCHEMBL4337399 0.80 PDE4A (0.45) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL13666638 0.79 TSHR (0.41) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL4330224 0.78 ELANE (0.43) ALDH1A1GAAHTTERN1TLR7
SCHEMBL4342181 0.78 CYP17A1 (0.42) ALDH1A1HTTMEN1RAB9AKMT2A

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 40/4885PDE4A 2/4885PDE4B 1/4885

“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.