SCHEMBL4921837

SCHEMBL4921837

CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(C(=O)c3ccccc3[N+](=O)[O-])c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
CCNK O75909 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK3 Q00526 1/20 0.38
CDK6 Q00534 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
SCHEMBL4919003 0.77 LRRK2 (0.46) LRRK2ALDH1A1KDM4EHPGDPKM
SCHEMBL4929001 0.76 LRRK2 (0.45) LRRK2ALDH1A1PKMLMNAMAPT
SCHEMBL4924480 0.75 LRRK2 (0.47) LRRK2ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL4930298 0.73 LRRK2 (0.52) LRRK2ALDH1A1KDM4EPKMCCNA2
SCHEMBL4923725 0.73 ALDH1A1 (0.51) LRRK2ALDH1A1KDM4EHPGDPKM
SCHEMBL4918837 0.71 LMNA (0.48) LRRK2ALDH1A1KDM4EPKMRAB9A
SCHEMBL4917837 0.70 ALDH1A1 (0.43) LRRK2ALDH1A1PKMNPC1RAB9A
SCHEMBL4923124 0.70 LRRK2 (0.45) LRRK2ALDH1A1KDM4EPKMMAPT
SCHEMBL7433903 0.69 ALDH1A1 (0.73) LRRK2ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL4917671 0.69 ALDH1A1 (0.42) LRRK2ALDH1A1KDM4EHPGDPKM

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 4 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
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 2002/4885KDM4E 3002/4885

“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.