SCHEMBL16147496

SCHEMBL16147496

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 6/20 0.47
▸ PPARG P37231 6/20 0.47
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ SERPINE1 P05121 1/20 0.45
▸ PYGL P06737 3/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL16147685 0.89 PDK1 (0.49) PDK1PDK2PDK3PDK4MEN1
SCHEMBL16147507 0.89 NR1H4 (0.57) NR1H4PPARGPDK1PDK2PDK3
SCHEMBL16147800 0.84 TMPRSS4 (0.59) NR1H4PPARGPDK1PDK2PDK3
SCHEMBL16147238 0.81 PYGL (0.47) NR1H4PPARGPDK1PDK2PDK3
SCHEMBL16148191 0.81 PYGL (0.51) PDK1PDK2PDK3PDK4PYGL
SCHEMBL17498480 0.80 RAB9A (0.56) PPARGPDK1PDK2PDK3PDK4
SCHEMBL16160824 0.80 PYGL (0.46) PDK1PDK2PDK3PDK4PYGL
SCHEMBL16148208 0.80 KCNMA1 (0.64) PYGLMEN1KMT2ANPC1ALDH1A1
SCHEMBL22153049 0.79 NR1H4 (0.69) NR1H4PPARGSERPINE1EPHX2MEN1
SCHEMBL16160861 0.78 PLG (0.51) NR1H4PPARGSERPINE1EPHX2MEN1

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 NR1H4 527/4885PPARG 359/4885PDK1 25/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS NR1H4 527/4885PPARG 359/4885PDK1 25/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS NR1H4 527/4885PPARG 359/4885PDK1 25/4885

“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.

Send feedback