SCHEMBL6697513

SCHEMBL6697513

Cc1sc(-c2cccc(-c3ccccc3)c2)nc1CCO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
PPARA Q07869 7/20 0.44
DCK P27707 1/20 0.42
RARA P10276 2/20 0.42
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL4889434 0.90 RARA (0.51) PPARGPPARARARARARBRARG
SCHEMBL1436076 0.90 RARA (0.50) PPARGPPARARARARARBRARG
SCHEMBL4889138 0.88 PPARG (0.42) PPARGPPARARARARARBRARG
SCHEMBL1436666 0.87 PPARG (0.48) PPARGPPARADCKMEN1KMT2A
SCHEMBL4906632 0.83 PPARG (0.39) PPARGPPARADCKRARARARB
SCHEMBL202382 0.81 RARA (0.48) PPARGPPARARARARARBRARG
SCHEMBL4897981 0.80 DCK (0.38) PPARGPPARADCKRARARARB
SCHEMBL4889260 0.79 RARA (0.41) PPARGPPARARARARARBRARG
SCHEMBL3371722 0.77 PPARA (0.39) PPARGPPARADCKPDE10A
SCHEMBL820915 0.77 PPARA (0.49) PPARGPPARADCKPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825222-B2 2-(4-(2-(2-BIPHENYL-YL-5-METHYL-THIAZOL-4-YL)-ALKOXY)-PHENOXY) -2-METHYL-PROPIONIC ACID DERIVATIVES; ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2004-11-30 US disclosed
US-20040019090-A1 2-(4-(2-(2-biphenyl-yl-5-methyl-thiazol-4-yl)-alkoxy)-phenoxy) -2-methyl-propionic acid derivatives; antidiabetic agents ELI LILLY & COMPANY 2004-01-29 US disclosed
EP-1206457-B1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS LILLY CO ELI (US) 2003-10-15 EP disclosed
US-6610696-B2 Such as 2-(4-(2-(2-(4-(3,5-dimethyl-isoxazol-4-yl)-phenyl)-5-methyloxazol-4-yl) -ethyoxy)-phenoxy)-2-methylpropionic acid for treatment of diabetes (lowering serum triglycerides) ELI LILLY AND COMPANY 2003-08-26 US disclosed
US-20030045558-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY & COMPANY LILY CORPORATE CENTER (US) 2003-03-06 US disclosed
WO-2001016120-A9 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS LILLY CO ELI (US) 2002-07-11 WO disclosed
US-6417212-B1 PHENYLOXAZOLE SUBSTITUTED ON BENZENEOXYPROPIONIC ACID OR ESTERS ELI LILLY & COMPANY 2002-07-09 US disclosed
EP-1206457-A1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS ELI LILLY AND COMPANY (US) 2002-05-22 EP disclosed
WO-2001016120-A1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS ELI LILLY AND COMPANY (US) 2001-03-08 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 (2 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-20040019090-A1 2-(4-(2-(2-biphenyl-yl-5-methyl-thiazol-4-yl)-alkoxy)-phenoxy) -2-methyl-propionic acid derivatives; antidiabetic agents SLC5A2, SLC5A1, GLP1R PPARG 26/4885PPARA 19/4885DCK 3421/4885
US-20030045558-A1 Modulators of peroxisome proliferator activated receptors PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885DCK 3928/4885

“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.