SCHEMBL5565859

SCHEMBL5565859

CC(C)Oc1ccc(C=C[C@H](CCO)Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.36
CENPE Q02224 2/20 0.35
P2RX3 P56373 6/20 0.34
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
CSNK2A1 P68400 2/20 0.32
KMO O15229 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL5565852 1.00 S1PR1 (0.36) S1PR1CENPEP2RX3MAP4K4MINK1
SCHEMBL5565856 0.89 CSNK2A1 (0.33) S1PR1CSNK2A1
SCHEMBL5565201 0.81 P2RX3 (0.32) P2RX3CSNK2A1
SCHEMBL5565205 0.81 P2RX3 (0.32) P2RX3CSNK2A1
SCHEMBL14529933 0.80 S1PR1 (0.36) S1PR1CENPEP2RX3MAP4K4MINK1
SCHEMBL5568781 0.79 S1PR1 (0.34) S1PR1CENPEP2RX3MAP4K4MINK1
SCHEMBL5568783 0.79 S1PR1 (0.34) S1PR1CENPEP2RX3MAP4K4MINK1
SCHEMBL5565637 0.79 CENPE (0.39) S1PR1CENPEP2RX3MAP4K4MINK1
SCHEMBL5565628 0.79 CENPE (0.39) S1PR1CENPEP2RX3MAP4K4MINK1
SCHEMBL5569938 0.79 S1PR1 (0.34) S1PR1CENPEP2RX3MAP4K4MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 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 (1 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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 S1PR1 2943/4885CENPE 54/4885P2RX3 4199/4885

“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.