Sugi Predict

Sugi Predict / Compounds / SCHEMBL10192157

SCHEMBL10192157

SCHEMBL10192157

CC(C)[C@@H](NC(=O)OC(C)(C)C)c1oc2cc(F)ccc2c(=O)c1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NCOA2 Q15596 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ PPARA Q07869 2/20 0.41
▸ NPSR1 Q6W5P4 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39

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
SCHEMBL11920178 0.90 KIF11 (0.45) PPARGTSHRLMNANCOA2NCOA1
SCHEMBL10192147 0.89 KIF11 (0.50) PPARGTSHRLMNANCOA2NCOA1
SCHEMBL13309006 0.89 KIF11 (0.50) PPARGTSHRLMNANCOA2NCOA1
SCHEMBL10192174 0.89 CYP19A1 (0.45) PPARGLMNAPPARAALDH1A1HPGD
SCHEMBL10192158 0.87 PPARA (0.39) PPARGTSHRLMNANCOA2NCOA1
SCHEMBL15434858 0.87 CTSS (0.39) PPARGTSHRLMNANCOA2NCOA1
SCHEMBL13309019 0.87 CTSS (0.39) PPARGTSHRLMNANCOA2NCOA1
SCHEMBL12735758 0.81 KCNH2 (0.40) NPSR1KIF11KCNH2GAAHSD17B3
SCHEMBL645583 0.79 KIF11 (0.47) LMNANCOA1NCOA3ALDH1A1HPGD
SCHEMBL13309372 0.79 KIF11 (0.41) PPARGTSHRLMNANCOA2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 — — US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 — — US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 — — US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 — — US disclosed
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2012-08-16 — — US disclosed
US-8119678-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-02-21 — — US disclosed
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2011-09-22 — — US disclosed
US-7629477-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-12-08 — — US disclosed
US-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 — — US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 — — 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 (4 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-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 PPARG 765/4885TSHR 4669/4885LMNA 568/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 PPARG 765/4885TSHR 4669/4885LMNA 568/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 PPARG 765/4885TSHR 4669/4885LMNA 568/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 PPARG 765/4885TSHR 4669/4885LMNA 568/4885

“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.