SCHEMBL16147685

SCHEMBL16147685

CCC(C)(C)c1ccc(O)c(C(=O)Nc2ccc(C(=O)OC)cc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.49
▸ PDK2 Q15119 2/20 0.49
▸ PDK3 Q15120 2/20 0.49
▸ PDK4 Q16654 2/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ MDH1 P40925 4/20 0.45
▸ MDH2 P40926 4/20 0.45
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPC1 O15118 2/20 0.41

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
SCHEMBL16147496 0.89 NR1H4 (0.47) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL16147742 0.89 ALDH1A1 (0.56) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL16147250 0.86 TMPRSS4 (0.56) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL16148870 0.84 MDH1 (0.47) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL16147966 0.83 PDK1 (0.48) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL16148958 0.83 PDK1 (0.50) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL16148001 0.82 KCNMA1 (0.59) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL16147471 0.81 RAB9A (0.53) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL16147735 0.81 PDK1 (0.46) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL17515708 0.80 PDK1 (0.47) PDK1PDK2PDK3PDK4ALDH1A1

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
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same NORTH CAROLINA CENTRAL UNIV (US) 2018-12-27 — — US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 — — US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 — — US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 — — US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 — — US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 — — US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 — — US disclosed
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 — — 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 (3 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-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same GLS2, PC, GLS PDK1 25/4885PDK2 38/4885PDK3 81/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS PDK1 25/4885PDK2 38/4885PDK3 81/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS PDK1 25/4885PDK2 38/4885PDK3 81/4885

“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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