SCHEMBL4930488

SCHEMBL4930488

CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(C(=O)OCc3ccc4c(c3)OCO4)c2C1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
PKM P14618 3/20 0.48
CYP3A4 P08684 1/20 0.46
BRD4 O60885 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 4/20 0.42
TSHR P16473 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.40
LRRK2 Q5S007 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4918991 0.81 ALDH1A1 (0.51) ALDH1A1PKMCYP3A4BRD4SMN1; SMN2
SCHEMBL4927576 0.81 BRD4 (0.46) ALDH1A1PKMCYP3A4BRD4SMN1; SMN2
SCHEMBL4928786 0.81 ALDH1A1 (0.52) ALDH1A1PKMCYP3A4SMN1; SMN2LMNA
SCHEMBL4927718 0.80 ALDH1A1 (0.47) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL7433903 0.78 ALDH1A1 (0.73) ALDH1A1PKMCYP3A4SMN1; SMN2LMNA
SCHEMBL4918258 0.76 ALDH1A1 (0.47) ALDH1A1PKMSMN1; SMN2LMNAMAPT
SCHEMBL4929847 0.76 ALDH1A1 (0.48) ALDH1A1PKMBRD4LMNAMAPT
SCHEMBL4922981 0.76 LRRK2 (0.43) ALDH1A1PKMBRD4SMN1; SMN2LMNA
SCHEMBL4918850 0.76 ALDH1A1 (0.46) ALDH1A1PKMSMN1; SMN2LMNATSHR
SCHEMBL4925499 0.74 ALDH1A1 (0.47) ALDH1A1PKMBRD4LMNAMAPT

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 ALDH1A1 2002/4885PKM 2177/4885CYP3A4 2068/4885

“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.