SCHEMBL212044

SCHEMBL212044

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1cc(-c2ccccc2)n(C)n1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGS1 P23219 1/20 0.30
EPHX2 P34913 1/20 0.30
PTGS2 P35354 1/20 0.30
P2RX7 Q99572 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
MET P08581 1/20 0.30
RORA P35398 1/20 0.30
RORC P51449 1/20 0.30
RORB Q92753 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
SCHEMBL210849 0.94 TRPV4 (0.32) GRM5CACNA1GCACNA1H
SCHEMBL211943 0.88 MAPT (0.41)
SCHEMBL212045 0.87 FOLH1 (0.34) GRM5MEN1GLAKMT2APTGS1
SCHEMBL210986 0.86 SCD5 (0.35) MEN1KMT2AL3MBTL1
SCHEMBL212192 0.83 CTSK (0.36)
SCHEMBL214678 0.83 CTSK (0.36)
SCHEMBL211687 0.83 MAPT (0.40) GRM5
SCHEMBL210624 0.82 MAPT (0.41) MEN1KMT2ARORC
SCHEMBL212860 0.82 KDM4E (0.38) MEN1KMT2AL3MBTL1
SCHEMBL211757 0.81 CSNK2A2 (0.41) MEN1KMT2A

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 GRM5 1619/4885MEN1 665/4885GLA 828/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GRM5 1619/4885MEN1 665/4885GLA 828/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GRM5 1619/4885MEN1 665/4885GLA 828/4885

“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.