SCHEMBL4283065

SCHEMBL4283065

CC(=O)NCC1CCC(CO)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ GLA P06280 1/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ CACNA1H O95180 1/20 0.41
▸ EPHX1 P07099 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ ENGASE Q8NFI3 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FUCA1 P04066 1/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 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
SCHEMBL23136944 1.00 TDP1 (0.50) TDP1GLAALOX15CACNA1HEPHX1
SCHEMBL48633 0.91 — —
SCHEMBL13165688 0.91 TDP1 (0.58) TDP1GLAALOX15CACNA1HEPHX1
Hydrochloric Acid SCHEMBL4553435 0.89 — —
SCHEMBL10106981 0.84 TDP1 (0.52) TDP1GLAALOX15CACNA1HEPHX1
SCHEMBL4761476 0.83 TDP1 (0.50) TDP1GLAALOX15CACNA1HEPHX1
SCHEMBL4761479 0.83 TDP1 (0.50) TDP1GLAALOX15CACNA1HEPHX1
SCHEMBL14438969 0.83 TDP1 (0.50) TDP1GLAALOX15CACNA1HEPHX1
SCHEMBL25527588 0.83 TDP1 (0.50) TDP1GLAALOX15CACNA1HEPHX1
SCHEMBL5969117 0.82 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357908-A4 ACYL SULFAMIDES FOR TREATMENT OF OBESITY, DIABETES AND LIPID DISORDERS MERCK & CO INC (US) 2009-07-15 — — EP disclosed
US-6852738-B2 Potent ligands for PPAR gamma and generally have antagonist or partial agonist activity. The compoundsare for treatment, control or prevention of obesity, non-insulin dependent diabetes mellitus (NIDDM), hyperglycemia, dyslipidemia, MERCK & CO., INC. (US) 2005-02-08 — — US disclosed
US-20040073037-A1 Anticholesterol agents; cardiovascular disorders; antiinflammatory agents; peroxisome proliferator activator receptor antagonist MERCK SHARP & DOHME CORP. 2004-04-15 — — US disclosed
EP-1357908-A2 ACYL SULFAMIDES FOR TREATMENT OF OBESITY, DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-11-05 — — EP disclosed
WO-2002060388-A2 ACYL SULFAMIDES FOR TREATMENT OF OBESITY, DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-08 — — 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 (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-20040073037-A1 Anticholesterol agents; cardiovascular disorders; antiinflammatory agents; peroxisome proliferator activator receptor antagonist PPARA, PPARD, PPARG TDP1 3529/4885GLA 384/4885ALOX15 491/4885

“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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