SCHEMBL211422

SCHEMBL211422

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTK2 Q05397 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL214863 0.93 TDP1 (0.41) TDP1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL213235 0.89 GAA (0.35) NPC1RAB9A
SCHEMBL212192 0.87 CTSK (0.36) ALDH1A1KDM4E
SCHEMBL214678 0.87 CTSK (0.36) ALDH1A1KDM4E
SCHEMBL211423 0.86 TDP1 (0.40) TDP1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL212746 0.85 ABL1 (0.33)
SCHEMBL215000 0.83 CSNK2A2 (0.41) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL212048 0.83 POLB (0.35) TDP1NPC1RAB9A
SCHEMBL213670 0.83 CTSK (0.35) ALDH1A1KDM4E
SCHEMBL213060 0.83 CTSK (0.35) TDP1ALDH1A1MAPTKDM4E

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 TDP1 1077/4885ALDH1A1 1710/4885MAPT 530/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TDP1 1077/4885ALDH1A1 1710/4885MAPT 530/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TDP1 1077/4885ALDH1A1 1710/4885MAPT 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.