SCHEMBL2450679

SCHEMBL2450679

CC1(C)OB(c2cccc(OCC(F)(F)F)c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 6/20 0.45
▸ LIPG Q9Y5X9 6/20 0.45
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ BACE1 P56817 1/20 0.37
▸ GPR3 P46089 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ DGAT1 O75907 2/20 0.35

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
SCHEMBL31627012 1.00 LPL (0.45) LPLLIPGGRIN1GRIN2AGRIN2B
SCHEMBL29103279 0.90 LIPG (0.44) LPLLIPGAAK1HIF1ACA1
SCHEMBL29656921 0.90 LIPG (0.44) LPLLIPGAAK1HIF1ACA1
SCHEMBL23363581 0.88 LPL (0.42) LPLLIPGAAK1HIF1ACA1
SCHEMBL29899260 0.88 LPL (0.42) LPLLIPGAAK1HIF1ACA1
SCHEMBL23363514 0.88 LIPG (0.42) LPLLIPGAAK1HIF1ACA1
SCHEMBL26978804 0.87 LIPG (0.46) LPLLIPGAAK1HIF1ACA1
SCHEMBL22290583 0.84 LIPG (0.44) LPLLIPGAAK1HIF1ACA1
SCHEMBL22290499 0.84 LIPG (0.48) LPLLIPGHIF1ACA1CA2
SCHEMBL19384526 0.83 LIPG (0.43) LPLLIPGAAK1HIF1ACA1

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-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 — — US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 — — US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 — — US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 — — US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 — — US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 — — EP 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG LPL 77/4885LIPG 240/4885GRIN1 2261/4885

“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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