SCHEMBL10192147

SCHEMBL10192147

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPK8 P45983 2/20 0.43
MAPK9 P45984 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PPARA Q07869 2/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP19A1 P11511 1/20 0.40
LMNA P02545 3/20 0.39
PPARG P37231 2/20 0.39
NCOA1 Q15788 2/20 0.39
NCOA3 Q9Y6Q9 2/20 0.39
TSHR P16473 1/20 0.39
NCOA2 Q15596 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
SCHEMBL13309006 1.00 KIF11 (0.50) KIF11KCNH2MAPK8MAPK9ESR1
SCHEMBL11920178 0.90 KIF11 (0.45) KIF11KCNH2PPARAHPGDHTT
SCHEMBL10192157 0.89 PPARG (0.47) KIF11KCNH2ESR1PPARAHPGD
SCHEMBL645583 0.89 KIF11 (0.47) KIF11KCNH2MAPK8MAPK9ESR1
SCHEMBL10192145 0.89 KIF11 (0.41) KIF11KCNH2MAPK8MAPK9ESR1
SCHEMBL13309372 0.89 KIF11 (0.41) KIF11KCNH2MAPK8MAPK9ESR1
SCHEMBL10192174 0.89 CYP19A1 (0.45) PPARAHPGDKDM4EALDH1A1MEN1
SCHEMBL646087 0.88 KIF11 (0.48) KIF11KCNH2MAPK8MAPK9ESR1
SCHEMBL13309019 0.87 CTSS (0.39) KIF11KCNH2PPARAKDM4EALDH1A1
SCHEMBL15434858 0.87 CTSS (0.39) KIF11KCNH2PPARAKDM4EALDH1A1

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 12 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-7919524-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-04-05 US disclosed
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-29 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 (5 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 KIF11 824/4885KCNH2 2582/4885MAPK8 1643/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAPK8 1643/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAPK8 1643/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAPK8 1643/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAPK8 1643/4885

“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.