SCHEMBL4922981

SCHEMBL4922981

CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(C(=O)c3ccc4c(c3)OCCO4)c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 3/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
CTNNB1 P35222 1/20 0.34

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
SCHEMBL4927576 0.94 BRD4 (0.46) LRRK2BRD4ALDH1A1PKMRAB9A
SCHEMBL4927681 0.82 LRRK2 (0.45) LRRK2BRD4ALDH1A1PKMNPSR1
SCHEMBL4927720 0.82 LRRK2 (0.48) LRRK2BRD4ALDH1A1PKMNPSR1
SCHEMBL4928068 0.81 LRRK2 (0.47) LRRK2ALDH1A1PKMNPSR1SMN1; SMN2
SCHEMBL4924480 0.81 LRRK2 (0.47) LRRK2BRD4ALDH1A1PKMNPSR1
SCHEMBL4929778 0.81 LRRK2 (0.45) LRRK2BRD4ALDH1A1PKMNPSR1
SCHEMBL4928928 0.80 LRRK2 (0.47) LRRK2ALDH1A1PKMNPC1NPSR1
SCHEMBL4919003 0.79 LRRK2 (0.46) LRRK2BRD4ALDH1A1PKMRAB9A
SCHEMBL4923957 0.79 LRRK2 (0.44) LRRK2ALDH1A1PKMRAB9ANPC1
SCHEMBL4928697 0.78 LRRK2 (0.45) LRRK2ALDH1A1PKMRAB9ANPSR1

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 327/4885BRD4 726/4885ALDH1A1 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.