SCHEMBL4919504

SCHEMBL4919504

COc1ccccc1C(=O)c1sc(S(C)(=O)=O)c2c1CC(C)(C)CC2=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
RORB Q92753 4/20 0.39
RORC P51449 2/20 0.39
GSK3B P49841 1/20 0.37
MAPT P10636 1/20 0.36
STS P08842 1/20 0.36
BRD4 O60885 1/20 0.36
UCHL1 P09936 1/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 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
SCHEMBL4928631 0.85 LRRK2 (0.46) LRRK2ALDH1A1PKMRORBBRD4
SCHEMBL4923957 0.80 LRRK2 (0.44) LRRK2ALDH1A1PKMGSK3BMAPT
SCHEMBL4929001 0.80 LRRK2 (0.45) LRRK2ALDH1A1PKMMAPTBRD4
SCHEMBL4917885 0.80 LRRK2 (0.45) LRRK2ALDH1A1PKMBRD4LMNA
SCHEMBL4928068 0.76 LRRK2 (0.47) LRRK2ALDH1A1PKMMAPTLMNA
SCHEMBL4929778 0.76 LRRK2 (0.45) LRRK2ALDH1A1PKMBRD4LMNA
SCHEMBL4923028 0.76 ALDH1A1 (0.50) LRRK2ALDH1A1PKMMAPTBRD4
SCHEMBL13791613 0.75 ALDH1A1 (0.54) LRRK2ALDH1A1PKMMAPTBRD4
SCHEMBL14007341 0.75 MAPT (0.43) LRRK2ALDH1A1PKMMAPTBRD4
SCHEMBL4930298 0.75 LRRK2 (0.52) LRRK2ALDH1A1PKMKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists NOVO NORDISK A/S (DK) 2008-11-06 US disclosed
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists NOVO NORDISK A/S (DK) 2008-11-06 US disclosed
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists NOVO NORDISK A/S (DK) 2008-11-06 US disclosed
EP-1765814-A1 CONDENSED THIOPHENE DERIVATIVES AND THEIR USE AS CYCLIC GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2007-03-28 EP disclosed
WO-2006003096-A1 CONDENSED THIOPHENE DERIVATIVES AND THEIR USE AS CYCLIC GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2006-01-12 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-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists GLP1R, GIPR, GCGR LRRK2 327/4885ALDH1A1 2002/4885PKM 2177/4885

“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.