SCHEMBL4243049

SCHEMBL4243049

C[C@]1(C(=O)O)OC[C@@H](c2ccc(OCCn3ccc4ccccc43)cc2)CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
FFAR1 O14842 1/20 0.48
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARA Q07869 3/20 0.42
MCL1 Q07820 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL4243045 1.00 PPARG (0.48) PPARGFFAR1MAPK1SMN1; SMN2NPC1
SCHEMBL4248865 0.90 FFAR1 (0.47) PPARGFFAR1MAPK1SMN1; SMN2NPC1
SCHEMBL4243632 0.87 PPARG (0.57) PPARGFFAR1MAPK1SMN1; SMN2NPC1
SCHEMBL4243629 0.87 PPARG (0.57) PPARGFFAR1MAPK1SMN1; SMN2NPC1
SCHEMBL4247757 0.87 PPARG (0.57) PPARGFFAR1MAPK1SMN1; SMN2NPC1
SCHEMBL4246492 0.79 PPARA (0.51) PPARGPPARA
SCHEMBL4246496 0.79 PPARA (0.51) PPARGPPARA
SCHEMBL4250178 0.79 PPARA (0.46) PPARGSMN1; SMN2RAB9APPARAMAPT
SCHEMBL4250184 0.79 PPARA (0.46) PPARGSMN1; SMN2RAB9APPARAMAPT
SCHEMBL4250701 0.79 PPARA (0.46) PPARGSMN1; SMN2RAB9APPARAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012069-A1 Novel Antidiabetic Compounds CADILA HEALTHCARE LIMITED (IN) 2009-01-08 US claimed
EP-1781633-A1 NOVEL ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2007-05-09 EP claimed
WO-2006018855-A1 NOVEL ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2006-02-23 WO claimed
US-20090012069-A1 Novel Antidiabetic Compounds CADILA HEALTHCARE LIMITED (IN) 2009-01-08 US disclosed
EP-1781633-A1 NOVEL ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2007-05-09 EP disclosed
WO-2006018855-A1 NOVEL ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2006-02-23 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-20090012069-A1 Novel Antidiabetic Compounds GPR119, SLC5A1, SLC5A2 PPARG 76/4885FFAR1 405/4885MAPK1 927/4885

“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.