SCHEMBL211634

SCHEMBL211634

CCOP(=O)(OCC)OC[C@H](O)C[C@@H](COC(=O)Nc1cc(-c2ccccc2)on1)N(NCc1cccc(F)c1Cl)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 6/20 0.33
TP53 P04637 3/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
ACR P10323 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 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
SCHEMBL211636 1.00 KDM4E (0.34) KDM4EMAPTTP53SCDSCD5
SCHEMBL210820 0.95 TP53 (0.32) KDM4EMAPTTP53ALDH1A1MEN1
SCHEMBL210818 0.95 TP53 (0.32) KDM4EMAPTTP53ALDH1A1MEN1
SCHEMBL209827 0.94 KDM4E (0.33) KDM4EMAPTTP53SCDSCD5
SCHEMBL209825 0.94 KDM4E (0.33) KDM4EMAPTTP53SCDSCD5
SCHEMBL211875 0.93 SCD (0.33) KDM4EMAPTTP53SCDSCD5
SCHEMBL211873 0.93 SCD (0.33) KDM4EMAPTTP53SCDSCD5
SCHEMBL2725606 0.88 KDM4E (0.34) KDM4EMAPTTP53SCDSCD5
SCHEMBL211635 0.88 KDM4E (0.34) KDM4EMAPTTP53SCDSCD5
SCHEMBL210390 0.88 MAPK1 (0.36) MAPTTP53ALDH1A1POLBGAA

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 KDM4E 3281/4885MAPT 530/4885TP53 2206/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885MAPT 530/4885TP53 2206/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885MAPT 530/4885TP53 2206/4885

“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.