SCHEMBL3555152

SCHEMBL3555152

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.47
▸ CYP26A1 O43174 2/20 0.46
▸ CYP26B1 Q9NR63 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ FFAR1 O14842 13/20 0.44
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42

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
SCHEMBL3553559 1.00 PPARG (0.47) PPARGCYP26A1CYP26B1CYP3A4FFAR1
SCHEMBL3553563 1.00 PPARG (0.47) PPARGCYP26A1CYP26B1CYP3A4FFAR1
SCHEMBL13350368 0.83 PPARG (0.42) PPARGCYP26A1CYP26B1CYP3A4FFAR1
SCHEMBL13350450 0.82 FFAR1 (0.41) PPARGCYP26A1CYP26B1CYP3A4FFAR1
SCHEMBL13350352 0.82 FFAR1 (0.41) PPARGCYP26A1CYP26B1CYP3A4FFAR1
SCHEMBL13350425 0.82 FFAR1 (0.64) PPARGCYP26A1CYP26B1CYP3A4FFAR1
SCHEMBL13350350 0.81 FFAR1 (0.41) PPARGCYP26A1CYP26B1CYP3A4FFAR1
SCHEMBL13350413 0.81 PPARG (0.41) PPARGCYP26A1CYP26B1CYP3A4FFAR1
SCHEMBL3548095 0.81 FFAR1 (0.65) PPARGCYP26A1CYP26B1CYP3A4FFAR1
SCHEMBL3552009 0.81 FFAR1 (0.65) PPARGCYP26A1CYP26B1CYP3A4FFAR1

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 10 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-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 — — US disclosed
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-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 — — US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 — — US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 — — US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 — — US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 — — US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 — — 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 (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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 PPARG 14/4885CYP26A1 170/4885CYP26B1 80/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC PPARG 16/4885CYP26A1 255/4885CYP26B1 173/4885

“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.

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