SCHEMBL2844956

SCHEMBL2844956

CN(Cc1cccc(F)c1F)C(COC(=O)Nc1cc2ccccc2cn1)CC(O)CO

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
CTSK P43235 1/20 0.34
PIN1 Q13526 2/20 0.34
ABL1 P00519 7/20 0.33
NLRP3 Q96P20 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MTOR P42345 1/20 0.32
RIPK1 Q13546 1/20 0.32
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31
GCK P35557 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
SCHEMBL2844950 1.00 NOTUM (0.37) NOTUMCTSKPIN1ABL1NLRP3
SCHEMBL2727993 1.00 NOTUM (0.37) NOTUMCTSKPIN1ABL1NLRP3
SCHEMBL2727999 1.00 NOTUM (0.37) NOTUMCTSKPIN1ABL1NLRP3
SCHEMBL2845097 1.00 NOTUM (0.37) NOTUMCTSKPIN1ABL1NLRP3
SCHEMBL2842115 0.92 PIN1 (0.36) NOTUMCTSKPIN1ABL1NLRP3
SCHEMBL2843062 0.92 PIN1 (0.36) NOTUMCTSKPIN1ABL1NLRP3
SCHEMBL2873459 0.92 NOTUM (0.36) NOTUMCTSKABL1NLRP3WNT1
SCHEMBL2846576 0.92 NOTUM (0.36) NOTUMCTSKABL1NLRP3WNT1
SCHEMBL2846571 0.92 NOTUM (0.36) NOTUMCTSKABL1NLRP3WNT1
SCHEMBL2730450 0.92 NOTUM (0.36) NOTUMCTSKABL1NLRP3WNT1

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 7 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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO 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 NOTUM 2164/4885CTSK 1455/4885PIN1 4267/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885CTSK 1455/4885PIN1 4267/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885CTSK 1455/4885PIN1 4267/4885

“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.