SCHEMBL2724049

SCHEMBL2724049

COC(=O)CCC[C@@H](COC(=O)Nc1cc(-c2ccccc2)on1)N(C)C(=O)NCc1cccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.34
SCD O00767 1/20 0.34
MAOB P27338 1/20 0.33
RAB9A P51151 5/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FOLH1 Q04609 1/20 0.32
NPC1 O15118 4/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 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
SCHEMBL2726698 0.95 SCD5 (0.35) SCD5SCDMAOBRAB9AMAPT
SCHEMBL2725422 0.95 KDM4E (0.37) MAOBRAB9AMAPTLMNAL3MBTL1
SCHEMBL2724087 0.94 NPC1 (0.34) MAOBRAB9AMAPTLMNAL3MBTL1
SCHEMBL210987 0.94 FOLH1 (0.36) SCD5SCDMAOBRAB9AMAPT
SCHEMBL2725869 0.94 MAPT (0.34) MAOBRAB9AMAPTLMNAL3MBTL1
SCHEMBL211535 0.91 HIF1A (0.38) SCD5SCDMAOBRAB9AMAPT
SCHEMBL4350864 0.91 SCD5 (0.35) SCD5SCDMAOBRAB9AMAPT
SCHEMBL212596 0.91 MAOB (0.35) SCD5SCDMAOBRAB9AMAPT
SCHEMBL212861 0.90 KDM4E (0.38) SCD5SCDMAOBRAB9AMAPT
SCHEMBL2724118 0.89 MAPT (0.40) SCD5SCDRAB9AMAPTKDM4E

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 8 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-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

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 SCD5 3908/4885SCD 3288/4885MAOB 378/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SCD5 3908/4885SCD 3288/4885MAOB 378/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SCD5 3908/4885SCD 3288/4885MAOB 378/4885

“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.