SCHEMBL4937751

SCHEMBL4937751

CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(C(=O)OCc3cccc(Br)c3)c2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
PKM P14618 2/20 0.49
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
LRRK2 Q5S007 1/20 0.41
NOTCH1 P46531 2/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
BRD4 O60885 1/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL4929155 0.89 ALDH1A1 (0.52) ALDH1A1PKMMMP1MMP2MMP9
SCHEMBL13791613 0.88 ALDH1A1 (0.54) ALDH1A1PKMLRRK2LMNAMAPT
SCHEMBL4927718 0.86 ALDH1A1 (0.47) ALDH1A1PKMMMP1MMP12LRRK2
SCHEMBL4929382 0.84 ALDH1A1 (0.50) ALDH1A1PKMLRRK2LMNAMAPT
SCHEMBL4918991 0.83 ALDH1A1 (0.51) ALDH1A1PKMLRRK2LMNAMAPT
SCHEMBL4928786 0.82 ALDH1A1 (0.52) ALDH1A1PKMLRRK2LMNAMAPT
SCHEMBL4930488 0.82 ALDH1A1 (0.48) ALDH1A1PKMLRRK2LMNAMAPT
SCHEMBL4924612 0.81 ALDH1A1 (0.51) ALDH1A1PKMLRRK2LMNAMAPT
SCHEMBL7433903 0.80 ALDH1A1 (0.73) ALDH1A1PKMLRRK2LMNAMAPT
SCHEMBL4927165 0.79 ALDH1A1 (0.50) ALDH1A1PKMMMP1MMP9LRRK2

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 3 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

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 2177/4885MMP1 3970/4885

“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.