SCHEMBL212268

SCHEMBL212268

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCCC(=O)O)COC(=O)Nc1cc2cnccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.33
P2RX7 Q99572 2/20 0.32
CTSK P43235 1/20 0.30
SIRT5 Q9NXA8 1/20 0.30
FOLH1 Q04609 1/20 0.30
ANO1 Q5XXA6 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL212091 0.97 MAP4K1 (0.33) MAP4K1P2RX7CTSKSIRT5FOLH1
SCHEMBL2726566 0.94 MAP4K1 (0.31) MAP4K1P2RX7CTSK
SCHEMBL2723892 0.93 MAP4K1 (0.34) MAP4K1P2RX7CTSKANO1TRPV1
SCHEMBL213061 0.93 CTSK (0.36) MAP4K1P2RX7CTSKSIRT5FOLH1
SCHEMBL2726553 0.91 MAP4K1 (0.31) MAP4K1P2RX7CTSK
SCHEMBL213614 0.90 MAP4K1 (0.34) MAP4K1P2RX7CTSKANO1TRPV1
SCHEMBL213615 0.90 MAP4K1 (0.34) MAP4K1P2RX7CTSKANO1TRPV1
SCHEMBL213616 0.90 MAP4K1 (0.34) MAP4K1P2RX7CTSKANO1TRPV1
SCHEMBL2723614 0.90 MAP4K1 (0.32) MAP4K1P2RX7CTSKANO1TRPV1
SCHEMBL2839845 0.89 CTSK (0.36) MAP4K1P2RX7CTSKSIRT5FOLH1

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 14 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-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 MAP4K1 1290/4885P2RX7 1556/4885CTSK 1455/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAP4K1 1290/4885P2RX7 1556/4885CTSK 1455/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAP4K1 1290/4885P2RX7 1556/4885CTSK 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.