SCHEMBL4928631

SCHEMBL4928631

CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(C(=O)c3ccccc3Cl)c2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
ALDH1A1 P00352 5/20 0.41
PKM P14618 2/20 0.41
RORB Q92753 4/20 0.36
BRD4 O60885 2/20 0.36
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TLR9 Q9NR96 1/20 0.35
OPRM1 P35372 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 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
SCHEMBL4919504 0.85 LRRK2 (0.44) LRRK2ALDH1A1PKMRORBBRD4
SCHEMBL4921837 0.83 LRRK2 (0.43) LRRK2ALDH1A1PKMLMNAKDM4E
SCHEMBL4928068 0.82 LRRK2 (0.47) LRRK2ALDH1A1PKMLMNANPSR1
SCHEMBL4919003 0.80 LRRK2 (0.46) LRRK2ALDH1A1PKMBRD4LMNA
SCHEMBL4929001 0.80 LRRK2 (0.45) LRRK2ALDH1A1PKMBRD4LMNA
SCHEMBL4917885 0.80 LRRK2 (0.45) LRRK2ALDH1A1PKMBRD4LMNA
SCHEMBL4927720 0.79 LRRK2 (0.48) LRRK2ALDH1A1PKMBRD4LMNA
SCHEMBL4928078 0.79 ALDH1A1 (0.49) LRRK2ALDH1A1PKMBRD4LMNA
SCHEMBL4924480 0.78 LRRK2 (0.47) LRRK2ALDH1A1PKMBRD4LMNA
SCHEMBL4929778 0.77 LRRK2 (0.45) LRRK2ALDH1A1PKMBRD4LMNA

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.