SCHEMBL5046411

SCHEMBL5046411

CCCCCCCCCCCCCC(I)(C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ SCN5A Q14524 3/20 0.43
▸ SCN9A Q15858 3/20 0.43
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ NAAA Q02083 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ EPHX1 P07099 3/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL3409880 1.00 GAA (0.43) GAASCN5ASCN9ACES2CES1
SCHEMBL8813314 0.83 MEN1 (0.44) GAASCN5ASCN9AALDH1A1
SCHEMBL10869954 0.81 ALDH1A1 (0.49) GAASCN5ASCN9ACES2CES1
SCHEMBL11305185 0.81 ALDH1A1 (0.49) GAASCN5ASCN9ACES2CES1
SCHEMBL5385328 0.81 ALDH1A1 (0.49) GAASCN5ASCN9ACES2CES1
SCHEMBL28570454 0.81 ALDH1A1 (0.49) GAASCN5ASCN9ACES2CES1
SCHEMBL355604 0.81 ALDH1A1 (0.49) GAASCN5ASCN9ACES2CES1
SCHEMBL11288238 0.79 GAA (0.45) GAASCN5ASCN9ACES2CES1
SCHEMBL10357746 0.79 SCN5A (0.55) GAASCN5ASCN9ACES2CES1
SCHEMBL11291699 0.79 GAA (0.45) GAASCN5ASCN9ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097388-A1 SYSTEMS AND METHODS FOR MONITORING FATTY ACID METABOLISM ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-05-10 — — WO claimed
WO-2024097388-A1 SYSTEMS AND METHODS FOR MONITORING FATTY ACID METABOLISM ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-05-10 — — WO disclosed
US-20230251278-A1 ACQUISITION METHOD OF VALUE RELATING TO TRIGLYCERIDE METABOLIC CAPACITY, PRESENTATION METHOD OF DISEASE INFORMATION, PRESENTATION METHOD OF DISEASE DIFFERENTIATION INFORMATION, PRESENTATION METHOD OF THERAPY EFFICACY INFORMATION, PRESENTATION METHOD OF THERAPEUTIC EFFECT INFORMATION, TEST REAGENT AND TEST KIT RIKEN (JP) 2023-08-10 — — US disclosed
US-7402405-B2 Methods and kits for diagnosing a pancreatic-based fat malabsorption disorder THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2008-07-22 — — US disclosed
EP-1404861-A4 METHODS AND KITS FOR DIAGNOSING A PANCREATIC-BASED FAT MALABSORPTION DISORDER PHILADELPHIA CHILDREN HOSPITAL (US) 2006-02-01 — — EP disclosed
EP-1404861-A1 METHODS AND KITS FOR DIAGNOSING A PANCREATIC-BASED FAT MALABSORPTION DISORDER THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2004-04-07 — — EP disclosed
US-20030086869-A1 Methods and kits for diagnosing a pancreatic-based fat malabsorption disorder THE CHILDREN'S HOSPITAL OF PHILADELPHIA 2003-05-08 — — US disclosed
WO-2002099123-A1 METHODS AND KITS FOR DIAGNOSING A PANCREATIC-BASED FAT MALABSORPTION DISORDER THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2002-12-12 — — 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-20230251278-A1 ACQUISITION METHOD OF VALUE RELATING TO TRIGLYCERIDE METABOLIC CAPACITY, PRESENTATION METHOD OF DISEASE INFORMATION, PRESENTATION METHOD OF DISEASE DIFFERENTIATION INFORMATION, PRESENTATION METHOD OF THERAPY EFFICACY INFORMATION, PRESENTATION METHOD OF THERAPEUTIC EFFECT INFORMATION, TEST REAGENT AND TEST KIT LIPC, MTTP, CETP GAA 526/4885SCN5A 3535/4885SCN9A 2624/4885
US-20030086869-A1 Methods and kits for diagnosing a pancreatic-based fat malabsorption disorder PNLIP, FABP2, FABP6 GAA 38/4885SCN5A 2276/4885SCN9A 2423/4885

“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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