SCHEMBL210894

SCHEMBL210894

CN(C(=O)NCc1ccc(Cl)cc1Cl)[C@@H](CCCC(C)(C)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MAPK1 P28482 2/20 0.37
CTSK P43235 1/20 0.37
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
EPHX2 P34913 5/20 0.34
TRPV1 Q8NER1 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
PPARG P37231 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
P2RX7 Q99572 1/20 0.33
NOTUM Q6P988 1/20 0.33
AKT3 Q9Y243 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
SCHEMBL212803 0.93 CTSK (0.38) TSHRMAPK1CTSKEPHX2LMNA
SCHEMBL210997 0.93 CTSK (0.36) CTSKALDH1A1P2RX7NOTUM
SCHEMBL211618 0.90 CTSK (0.37) CTSKROCK2ROCK1LMNAALDH1A1
SCHEMBL212304 0.89 ANO1 (0.38) MAPK1CTSKEPHX2LMNAALDH1A1
SCHEMBL210840 0.88 CTSK (0.36) CTSKEPHX2LMNAALDH1A1P2RX7
SCHEMBL210537 0.87 CTSK (0.38) MAPK1CTSKLMNAALDH1A1NOTUM
SCHEMBL211128 0.87 CTSK (0.36) MAPK1CTSKP2RX7NOTUM
SCHEMBL210730 0.87 CTSK (0.37) MAPK1CTSKP2RX7NOTUM
SCHEMBL213728 0.85 CTSK (0.37) MAPK1CTSKNOTUM
SCHEMBL212342 0.85 CTSK (0.39) MAPK1CTSKLMNAALDH1A1MAPT

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 17 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-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-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-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-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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 TSHR 3960/4885MAPK1 2926/4885CTSK 1455/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TSHR 3960/4885MAPK1 2926/4885CTSK 1455/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TSHR 3960/4885MAPK1 2926/4885CTSK 1455/4885

“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.