SCHEMBL212447

SCHEMBL212447

CC(C)(O)C[C@@H](COC(=O)Nc1cc(-c2cccc(F)c2)on1)N(CC(F)F)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGES O14684 2/20 0.31
MAPK1 P28482 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
TP53 P04637 2/20 0.31
SCD5 Q86SK9 2/20 0.30
SCD O00767 1/20 0.30
USP30 Q70CQ3 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL210248 0.90 KDM4E (0.33) KDM4EMAPTALDH1A1MAPK1ANO1
SCHEMBL8511834 0.88 KDM4E (0.33) KDM4EMAPTALDH1A1MAPK1ANO1
SCHEMBL2728588 0.85 TP53 (0.31) KDM4EMAPTALDH1A1MAPK1TP53
SCHEMBL213470 0.85 KDM4E (0.36) KDM4EMAPTALDH1A1ANO1TP53
SCHEMBL212899 0.83 MAPK1 (0.34) PTGESMAPK1ANO1
SCHEMBL2725253 0.83 KDM4E (0.33) KDM4EMAPTALDH1A1MAPK1TP53
SCHEMBL213574 0.82 KDM4E (0.33) KDM4EMAPTALDH1A1MAPK1TP53
SCHEMBL211796 0.82 TP53 (0.31) KDM4EMAPTALDH1A1MAPK1TP53
SCHEMBL213122 0.82 ANO1 (0.34) ALDH1A1PTGESMAPK1ANO1
SCHEMBL210469 0.82 KDM4E (0.31) KDM4EMAPTALDH1A1SCD5

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 14 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-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-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-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-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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 KDM4E 3281/4885MAPT 530/4885ALDH1A1 1710/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885MAPT 530/4885ALDH1A1 1710/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885MAPT 530/4885ALDH1A1 1710/4885

“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.