SCHEMBL4921833

SCHEMBL4921833

COc1ccc(-c2csc(-c3sc(S(C)(=O)=O)c4c3CC(C)(C)CC4=O)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
MAPT P10636 3/20 0.47
POLB P06746 3/20 0.47
IDH1 O75874 4/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDC25A P30304 2/20 0.40
CDC25B P30305 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CDC25C P30307 1/20 0.40
DUSP3 P51452 1/20 0.40
ALPL P05186 1/20 0.40
MEN1 O00255 1/20 0.38

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
SCHEMBL4922978 0.89 LRRK2 (0.52) LRRK2MAPTIDH1TP53
SCHEMBL4919479 0.86 LRRK2 (0.49) LRRK2MAPTPOLBIDH1KDM4E
SCHEMBL4927875 0.84 LRRK2 (0.49) LRRK2MAPTIDH1TP53KDM4E
SCHEMBL4931043 0.84 LRRK2 (0.49) LRRK2MAPTIDH1KDM4ERAB9A
SCHEMBL4919058 0.81 LRRK2 (0.48) LRRK2MAPTIDH1TP53
SCHEMBL4919051 0.77 LRRK2 (0.48) LRRK2MAPTPOLBTP53KDM4E
SCHEMBL4928886 0.77 LRRK2 (0.53) LRRK2KDM4EALDH1A1
SCHEMBL4923074 0.77 LRRK2 (0.46) LRRK2MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4927080 0.74 LRRK2 (0.45) LRRK2MAPTIDH1TP53
SCHEMBL4918838 0.74 LRRK2 (0.44) LRRK2MAPTPOLBIDH1TP53

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 327/4885MAPT 4242/4885POLB 4392/4885

“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.