SCHEMBL4337027

SCHEMBL4337027

CCOc1cc(NS(C)(=O)=O)ccc1C(=O)n1cc(-c2ccc(OC)c(OC)c2)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
FYN P06241 1/20 0.39
DHFR P00374 1/20 0.39
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
SYK P43405 1/20 0.38
PAX8 Q06710 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 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
SCHEMBL4337121 0.86 KDM4E (0.46) MEN1ALDH1A1KMT2ASYKLMNA
SCHEMBL4337351 0.85 MKNK1 (0.42) MEN1MAPK1KMT2ASYKLMNA
SCHEMBL5313649 0.84 LMNA (0.43) MEN1KMT2ASYKLMNAPOLB
SCHEMBL4337247 0.82 L3MBTL1 (0.41) MEN1MAPK1KMT2ALMNAMAPT
SCHEMBL4333003 0.80 ELANE (0.46) MEN1ALDH1A1KMT2ASYKELANE
SCHEMBL4348793 0.78 SYK (0.42) MEN1ALDH1A1KMT2APTPN11SYK
SCHEMBL4341340 0.77 DHFR (0.46) ALDH1A1DHFRLMNAELANE
SCHEMBL4328036 0.77 ALDH1A1 (0.46) ALDH1A1LMNAELANE
SCHEMBL4329666 0.77 ELANE (0.46) ALDH1A1KMT2ASYKELANE
SCHEMBL13666654 0.76 HTT (0.50) MEN1ALDH1A1KMT2ASYKLMNA

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 6 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-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 PTPN1 409/4885MEN1 3491/4885ALDH1A1 1580/4885

“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.