SCHEMBL212269

SCHEMBL212269

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.33
MAP4K1 Q92918 1/20 0.32
P2RX7 Q99572 1/20 0.30
ANO1 Q5XXA6 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
SCHEMBL212092 0.97 P2RX4 (0.33) P2RX4MAP4K1ANO1
SCHEMBL250635 0.94 P2RX4 (0.32) P2RX4MAP4K1
SCHEMBL213060 0.93 CTSK (0.35) P2RX4ANO1
SCHEMBL250122 0.91 P2RX4 (0.32) P2RX4MAP4K1
SCHEMBL210223 0.89 CTSK (0.34) P2RX4ANO1
SCHEMBL212268 0.88 MAP4K1 (0.33) MAP4K1P2RX7ANO1
SCHEMBL212529 0.86 ABL1 (0.33) P2RX4
SCHEMBL210546 0.86 CTSK (0.34) P2RX4
SCHEMBL214202 0.86 CTSK (0.36)
SCHEMBL214678 0.86 CTSK (0.36)

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 P2RX4 1405/4885MAP4K1 1290/4885P2RX7 1556/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 P2RX4 1405/4885MAP4K1 1290/4885P2RX7 1556/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 P2RX4 1405/4885MAP4K1 1290/4885P2RX7 1556/4885

“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.