SCHEMBL4921995

SCHEMBL4921995

CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3nc(-c4ccccc4)c(-c4ccccc4)s3)c2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.54
PTGS2 P35354 8/20 0.45
BRD4 O60885 1/20 0.41
GABRA1 P14867 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA2 P47869 4/20 0.41
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS1 P23219 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL4923074 0.79 LRRK2 (0.46) LRRK2PTGS2BRD4GABRA1GABRG2
SCHEMBL4919479 0.75 LRRK2 (0.49) LRRK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4928886 0.74 LRRK2 (0.53) LRRK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4921833 0.73 LRRK2 (0.50) LRRK2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4919058 0.73 LRRK2 (0.48) LRRK2BRD4GABRA1GABRG2GABRB3
SCHEMBL4922978 0.73 LRRK2 (0.52) LRRK2
SCHEMBL4923725 0.73 ALDH1A1 (0.51) LRRK2BRD4ALDH1A1HPGDSMN1; SMN2
SCHEMBL4919003 0.72 LRRK2 (0.46) LRRK2PTGS2BRD4GABRA1GABRG2
SCHEMBL4919051 0.71 LRRK2 (0.48) LRRK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4927875 0.71 LRRK2 (0.49) LRRK2KDM4E

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 327/4885PTGS2 722/4885BRD4 726/4885

“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.