SCHEMBL13350413

SCHEMBL13350413

C=N/C=C(/[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)N(C)N

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.41
▸ FFAR1 O14842 14/20 0.40
▸ CYP26A1 O43174 2/20 0.39
▸ CYP26B1 Q9NR63 2/20 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
SCHEMBL13350352 0.89 FFAR1 (0.41) PPARGFFAR1CYP26A1CYP26B1CYP3A4
SCHEMBL13350450 0.89 FFAR1 (0.41) PPARGFFAR1CYP26A1CYP26B1CYP3A4
SCHEMBL13350368 0.86 PPARG (0.42) PPARGFFAR1CYP26A1CYP26B1CYP3A4
SCHEMBL13350350 0.84 FFAR1 (0.41) PPARGFFAR1CYP26A1CYP26B1CYP3A4
SCHEMBL3553563 0.81 PPARG (0.47) PPARGFFAR1CYP26A1CYP26B1CYP3A4
SCHEMBL3553559 0.81 PPARG (0.47) PPARGFFAR1CYP26A1CYP26B1CYP3A4
SCHEMBL3555152 0.81 PPARG (0.47) PPARGFFAR1CYP26A1CYP26B1CYP3A4
SCHEMBL13350393 0.81 FFAR1 (0.39) PPARGFFAR1CYP26A1CYP26B1CYP3A4
SCHEMBL14567309 0.80 PPARG (0.42) PPARGFFAR1CYP26A1CYP26B1CYP3A4
SCHEMBL13350369 0.78 FFAR1 (0.41) PPARGFFAR1CYP26A1CYP26B1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 — — US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 — — US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 — — US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 — — 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 (3 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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 PPARG 14/4885FFAR1 549/4885CYP26A1 170/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX PPARG 26/4885FFAR1 51/4885CYP26A1 124/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC PPARG 16/4885FFAR1 699/4885CYP26A1 255/4885

“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.

Send feedback