SCHEMBL213236

SCHEMBL213236

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SCN9A Q15858 3/20 0.34
SCN5A Q14524 1/20 0.33
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 3/20 0.33
LIPE Q05469 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
FOLH1 Q04609 1/20 0.32
PTGES O14684 1/20 0.32
PTGS1 P23219 1/20 0.31

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
SCHEMBL2725787 0.93 POLB (0.35) POLBGAARAB9ANPC1SCN9A
SCHEMBL211423 0.89 TDP1 (0.40) RAB9ANPC1FOLH1
SCHEMBL213235 0.87 GAA (0.35) POLBGAARAB9ANPC1SCN9A
SCHEMBL214679 0.86 CTSK (0.37) RAB9AFOLH1
SCHEMBL212193 0.86 CTSK (0.37) RAB9AFOLH1
SCHEMBL212363 0.86 CTSK (0.37) RAB9AFOLH1
SCHEMBL212183 0.85 SCN9A (0.35) POLBGAARAB9ANPC1SCN9A
SCHEMBL209890 0.85 SCN9A (0.35) POLBGAARAB9ANPC1SCN9A
SCHEMBL212184 0.85 SCN9A (0.35) POLBGAARAB9ANPC1SCN9A
SCHEMBL215013 0.85 FOLH1 (0.32) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 POLB 2180/4885GAA 346/4885RAB9A 2065/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 POLB 2180/4885GAA 346/4885RAB9A 2065/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 POLB 2180/4885GAA 346/4885RAB9A 2065/4885

“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.