SCHEMBL15816956

SCHEMBL15816956

CCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.66
▸ MAPK1 P28482 2/20 0.62
▸ MAOA P21397 1/20 0.62
▸ MAOB P27338 1/20 0.62
▸ MEN1 O00255 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ DUSP3 P51452 1/20 0.61
▸ PTPN5 P54829 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ PTPN11 Q06124 1/20 0.61
▸ CTDSP1 Q9GZU7 1/20 0.61
▸ AKR1B1 P15121 3/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ BAG3 O95817 1/20 0.56

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
SCHEMBL15816958 1.00 PPARG (0.66) PPARGMAPK1MAOAMAOBMEN1
SCHEMBL21783184 0.89 PPARG (0.83) PPARGMAPK1MAOAMAOBMEN1
SCHEMBL15817056 0.85 CA9 (0.78) PPARGMAPK1MAOAMAOBAKR1B1
SCHEMBL15817052 0.85 CA9 (0.78) PPARGMAPK1MAOAMAOBAKR1B1
SCHEMBL15817054 0.85 CA9 (0.78) PPARGMAPK1MAOAMAOBAKR1B1
SCHEMBL15816246 0.82 PTPN1 (0.62) MAPK1MAOAMAOBMEN1POLB
SCHEMBL15816243 0.82 PTPN1 (0.62) MAPK1MAOAMAOBMEN1POLB
SCHEMBL15818349 0.80 MAPK1 (0.83) PPARGMAPK1MAOAMAOBCA9
SCHEMBL15818347 0.80 MAPK1 (0.83) PPARGMAPK1MAOAMAOBCA9
SCHEMBL15818348 0.80 MAPK1 (0.83) PPARGMAPK1MAOAMAOBCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 — — US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 — — US 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 PPARG 4425/4885MAPK1 1/4885MAOA 4054/4885

“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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