SCHEMBL11920178

SCHEMBL11920178

Cc1ccc2c(=O)c(Cc3ccccc3)c([C@H](NC(=O)OC(C)(C)C)C(C)C)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.42
PPARA Q07869 2/20 0.41
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 3/20 0.40
JAK2 O60674 2/20 0.40
S1PR4 O95977 1/20 0.40
F2 P00734 1/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 2/20 0.40
TSHR P16473 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL10192157 0.90 PPARG (0.47) KIF11KCNH2POLBPPARALMNA
SCHEMBL10192147 0.90 KIF11 (0.50) KIF11KCNH2PPARALMNANPSR1
SCHEMBL13309006 0.90 KIF11 (0.50) KIF11KCNH2PPARALMNANPSR1
SCHEMBL10192174 0.89 CYP19A1 (0.45) PPARALMNAHPGDPPARGGAA
SCHEMBL13309019 0.88 CTSS (0.39) KIF11KCNH2PPARALMNANPSR1
SCHEMBL10192158 0.88 PPARA (0.39) KIF11KCNH2PPARALMNANPSR1
SCHEMBL15434858 0.88 CTSS (0.39) KIF11KCNH2PPARALMNANPSR1
SCHEMBL645583 0.79 KIF11 (0.47) KIF11KCNH2LMNAHPGDHTT
SCHEMBL13309372 0.79 KIF11 (0.41) KIF11KCNH2LMNANPSR1HPGD
SCHEMBL10192145 0.79 KIF11 (0.41) KIF11KCNH2LMNANPSR1HPGD

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-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

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-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885POLB 111/4885

“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.