Sugi Predict

Sugi Predict / Compounds / SCHEMBL4283065

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
SCHEMBL13165688 0.91 TDP1 (0.58) TDP1GLAALOX15CACNA1HEPHX1
SCHEMBL48633 0.91 — —
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.