SCHEMBL4929778

SCHEMBL4929778

CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(C(=O)c3cccc(F)c3)c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.45
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
ARNT P27540 1/20 0.38
EPAS1 Q99814 1/20 0.38
BRD4 O60885 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CDK5 Q00535 4/20 0.35
CDK5R1 Q15078 4/20 0.35
WRN Q14191 1/20 0.35
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 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
SCHEMBL4924480 0.88 LRRK2 (0.47) LRRK2ALDH1A1PKMARNTEPAS1
SCHEMBL4923957 0.88 LRRK2 (0.44) LRRK2ALDH1A1PKMCES2CES1
SCHEMBL4927681 0.87 LRRK2 (0.45) LRRK2ALDH1A1PKMARNTEPAS1
SCHEMBL4917885 0.83 LRRK2 (0.45) LRRK2ALDH1A1PKMARNTEPAS1
SCHEMBL4927720 0.82 LRRK2 (0.48) LRRK2ALDH1A1PKMBRD4WRN
SCHEMBL4930298 0.82 LRRK2 (0.52) LRRK2ALDH1A1PKMCCNA2CDK2
SCHEMBL4919003 0.82 LRRK2 (0.46) LRRK2ALDH1A1PKMBRD4PTGS2
SCHEMBL4925973 0.82 LRRK2 (0.46) LRRK2ALDH1A1PKMBRD4WRN
SCHEMBL4928068 0.81 LRRK2 (0.47) LRRK2ALDH1A1PKMPTGS1PTGS2
SCHEMBL4928928 0.81 LRRK2 (0.47) LRRK2ALDH1A1PKMPTGS1PTGS2

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.