SCHEMBL212341

SCHEMBL212341

CC(=O)N(NCc1ccccc1Cl)[C@@H](CCCC(=O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GCG P01275 1/20 0.33
FOLH1 Q04609 1/20 0.33
LMNA P02545 1/20 0.32
ABL1 P00519 2/20 0.32
GCK P35557 1/20 0.32
HTT P42858 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
CSNK1D P48730 1/20 0.32
CCKBR P32239 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL212590 0.95 CTSK (0.36) CTSKNOTUMKDM4EALDH1A1MAPT
SCHEMBL214202 0.95 CTSK (0.36) CTSKNOTUMKDM4EALDH1A1GCG
SCHEMBL213670 0.93 CTSK (0.35) CTSKNOTUMKDM4EALDH1A1GCG
SCHEMBL211462 0.93 CTSK (0.36) CTSKNOTUMKDM4EALDH1A1MAPT
SCHEMBL211892 0.92 CTSK (0.35) CTSKNOTUMKDM4EALDH1A1ABL1
SCHEMBL213515 0.92 CTSK (0.36) CTSKNOTUMKDM4EALDH1A1MAPT
SCHEMBL4353508 0.91 CTSK (0.37) CTSKNOTUMALDH1A1MAPTABL1
SCHEMBL210644 0.90 NOTUM (0.36) CTSKNOTUMKDM4EALDH1A1MAPT
SCHEMBL211672 0.90 CTSK (0.36) CTSKNOTUMALDH1A1MAPTLMNA
SCHEMBL213060 0.90 CTSK (0.35) CTSKNOTUMKDM4EALDH1A1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
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 CTSK 1455/4885NOTUM 2164/4885KDM4E 3281/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885KDM4E 3281/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885KDM4E 3281/4885

“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.