SCHEMBL3968405

SCHEMBL3968405

Cc1ccc(SCCC(Oc2ccc(C(F)(F)F)cc2)C(=O)O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.48
PPARA Q07869 8/20 0.48
PTPN1 P18031 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PPARD Q03181 5/20 0.38
LMNA P02545 1/20 0.38
SLC6A9 P48067 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
SCHEMBL3972769 0.91 PPARG (0.48) PPARGPPARAPTPN1SMN1; SMN2PPARD
SCHEMBL3978556 0.89 PPARG (0.53) PPARGPPARASMN1; SMN2LMNASLC6A9
SCHEMBL3972070 0.88 PPARG (0.45) PPARGPPARAPTPN1SMN1; SMN2LMNA
Pemaglitazar SCHEMBL29908544 0.87 PPARG (0.56) PPARGPPARAPTPN1SLC6A9
Pemaglitazar SCHEMBL3971148 0.87 PPARG (0.56) PPARGPPARAPTPN1SLC6A9
Pemaglitazar SCHEMBL3971139 0.87 PPARG (0.56) PPARGPPARAPTPN1SLC6A9
Pemaglitazar SCHEMBL3971735 0.87 PPARG (0.56) PPARGPPARAPTPN1SLC6A9
SCHEMBL3979354 0.86 PPARG (0.46) PPARGPPARASMN1; SMN2LMNA
SCHEMBL3972905 0.85 PPARG (0.54) PPARGPPARA
Pemaglitazar SCHEMBL6904072 0.85 PPARG (0.54) PPARGPPARAPTPN1SLC6A9

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-7556858-B2 Substrate with attached dendrimers 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-07-07 US disclosed
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-20060068204-A1 Substrate with attached dendrimers 3M INNOVATIVE PROPERTIES COMPANY 2006-03-30 US disclosed
US-20050020651-A1 Butyric acid derivatives MERCK PATENT GMBH (DE) 2005-01-27 US disclosed
EP-1412326-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-04-28 EP disclosed
WO-2003011819-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2003-02-13 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-20050020651-A1 Butyric acid derivatives GPR119, DBI, GABRB1 PPARG 492/4885PPARA 425/4885PTPN1 2689/4885

“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.