SCHEMBL4923957

SCHEMBL4923957

COc1cccc(C(=O)c2sc(S(C)(=O)=O)c3c2CC(C)(C)CC3=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
STS P08842 3/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 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
SCHEMBL4929778 0.88 LRRK2 (0.45) LRRK2ALDH1A1GAAPKMCES2
SCHEMBL4928928 0.87 LRRK2 (0.47) LRRK2ALDH1A1GAACYP2C19PKM
SCHEMBL4927720 0.81 LRRK2 (0.48) LRRK2ALDH1A1GAAPKMMAPT
SCHEMBL4930298 0.80 LRRK2 (0.52) LRRK2ALDH1A1GAAPKMHTT
SCHEMBL4928697 0.79 LRRK2 (0.45) LRRK2ALDH1A1PKMHTTKDM4E
SCHEMBL4922981 0.79 LRRK2 (0.43) LRRK2ALDH1A1PKMRXFP1TP53
SCHEMBL4927576 0.79 BRD4 (0.46) LRRK2ALDH1A1GAAPKMHTT
SCHEMBL4926093 0.79 ALDH1A1 (0.43) LRRK2ALDH1A1PKMHTTMAPT
SCHEMBL4917671 0.78 ALDH1A1 (0.42) LRRK2ALDH1A1GAAPKMMAPT
SCHEMBL14007316 0.78 BRD4 (0.41) LRRK2ALDH1A1GAAPKMHTT

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 327/4885STS 3237/4885ALDH1A1 2002/4885

“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.