SCHEMBL211432

SCHEMBL211432

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1cc(-c2ccc(Br)cc2)on1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 4/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 4/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.31
MAOB P27338 1/20 0.31
PTPN1 P18031 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
SCHEMBL212860 0.94 KDM4E (0.38) POLBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL210986 0.94 SCD5 (0.35) ALDH1A1POLBMAPTRAB9ALMNA
SCHEMBL212588 0.94 MAPT (0.34) ALDH1A1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL212595 0.90 MAPT (0.34) ALDH1A1POLBMAPTRAB9ATP53
SCHEMBL213271 0.88 SCD5 (0.34) ALDH1A1POLBMAPTRAB9ANPC1
SCHEMBL210927 0.88 KDM4E (0.37) POLBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL211433 0.87 RAB9A (0.34) ALDH1A1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL4350860 0.87 SCD5 (0.35) ALDH1A1POLBMAPTRAB9ATP53
SCHEMBL211532 0.86 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL215012 0.86 KIT (0.30)

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 ALDH1A1 1710/4885POLB 2180/4885MAPT 530/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ALDH1A1 1710/4885POLB 2180/4885MAPT 530/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ALDH1A1 1710/4885POLB 2180/4885MAPT 530/4885

“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.