SCHEMBL2606829

SCHEMBL2606829

O=S(=O)(C1CNC1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.43
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.37
PIK3CA P42336 1/20 0.35
CYP2C9 P11712 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPT P10636 1/20 0.35
HTR2C P28335 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6184333 0.81 APLNR (0.50) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL2606813 0.79 TSHR (0.39) SMN1; SMN2TSHRL3MBTL1POLBLMNA
SCHEMBL16057051 0.79 TSHR (0.48) CA12CA7CA14SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL189985 0.78 TSHR (0.47) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL29483621 0.77 CA12 (0.54) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL29483644 0.74 TSHR (0.52) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL20599577 0.74 CHRNB2 (0.30)
SCHEMBL8220866 0.71 CA12 (0.46) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL4724826 0.68 CA12 (1.00) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL333915 0.67 CA12 (0.73) CA12CA7CA14SMN1; SMN2TSHR

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-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 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 (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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB CA12 2211/4885CA7 809/4885CA14 2381/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB CA12 2211/4885CA7 809/4885CA14 2381/4885

“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.