SCHEMBL16147357

SCHEMBL16147357

COC(=O)c1ccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
PDK1 Q15118 2/20 0.51
PDK2 Q15119 2/20 0.51
PDK3 Q15120 2/20 0.51
PDK4 Q16654 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
NR5A2 O00482 1/20 0.45
NR5A1 Q13285 1/20 0.45
NPC1 O15118 2/20 0.43
ATM Q13315 2/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACLY P53396 2/20 0.43

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
SCHEMBL16147472 0.89 NR1H4 (0.52) ALDH1A1RAB9AMAPTPDK1PDK2
SCHEMBL20305839 0.89 NR5A2 (0.46) ALDH1A1RAB9AMAPTPDK1PDK2
SCHEMBL16147742 0.84 ALDH1A1 (0.56) ALDH1A1RAB9AMAPTPDK1PDK2
SCHEMBL17413331 0.84 RAB9A (0.55) ALDH1A1RAB9AMAPTSMN1; SMN2NR5A2
SCHEMBL16148515 0.81 ALDH1A1 (0.64) ALDH1A1RAB9AMAPTPDK1PDK2
SCHEMBL28772807 0.80 RAB9A (0.46) ALDH1A1RAB9AMAPTLMNAKDM4E
SCHEMBL22153050 0.79 PDK1 (0.50) ALDH1A1RAB9AMAPTPDK1PDK2
SCHEMBL3166099 0.79 MAPT (0.57) ALDH1A1RAB9AMAPTLMNAHPGD
SCHEMBL30554594 0.79 MAPT (0.57) ALDH1A1RAB9AMAPTLMNAHPGD
SCHEMBL2787082 0.78 MEN1 (0.46) ALDH1A1PDK1PDK2PDK3PDK4

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 ALDH1A1 219/4885RAB9A 2373/4885MAPT 2394/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS ALDH1A1 219/4885RAB9A 2373/4885MAPT 2394/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS ALDH1A1 219/4885RAB9A 2373/4885MAPT 2394/4885

“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.