SCHEMBL3971644

SCHEMBL3971644

CCc1ccccc1SCCC(Oc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.53
PPARG P37231 16/20 0.53
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 2/20 0.44

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
SCHEMBL3972918 0.89 PPARA (0.60) PPARAPPARG
SCHEMBL11993053 0.86 NPC1 (0.55) PPARAPPARGMMP2MMP9MMP12
SCHEMBL3979354 0.77 PPARG (0.46) PPARAPPARG
SCHEMBL3972373 0.77 PPARG (0.46) PPARAPPARG
SCHEMBL11993106 0.76 PPARG (0.46) PPARAPPARG
SCHEMBL3969193 0.76 PPARG (0.45) PPARAPPARG
SCHEMBL3971631 0.76 PPARG (0.53) PPARAPPARG
SCHEMBL13923928 0.75 PPARG (0.65) PPARAPPARG
Pemaglitazar SCHEMBL3971139 0.73 PPARG (0.56) PPARAPPARG
Pemaglitazar SCHEMBL3971735 0.73 PPARG (0.56) PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-20050020651-A1 Butyric acid derivatives MERCK PATENT GMBH (DE) 2005-01-27 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-20050020651-A1 Butyric acid derivatives GPR119, DBI, GABRB1 PPARA 425/4885PPARG 492/4885MMP2 4138/4885

“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.