SCHEMBL4338632

SCHEMBL4338632

CCOP(=O)(OCC)OCCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(C)C(=O)NCc1cccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
PIN1 Q13526 2/20 0.33
NOTUM Q6P988 1/20 0.32
BTK Q06187 1/20 0.30
NTRK1 P04629 1/20 0.30
MET P08581 1/20 0.30
MAOB P27338 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
SCHEMBL4338639 1.00 CTSK (0.36) CTSKPIN1NOTUMBTKNTRK1
SCHEMBL4338635 1.00 CTSK (0.36) CTSKPIN1NOTUMBTKNTRK1
SCHEMBL4351517 0.98 CTSK (0.35) CTSKPIN1NOTUMBTKNTRK1
SCHEMBL4351527 0.98 CTSK (0.35) CTSKPIN1NOTUMBTKNTRK1
SCHEMBL4351523 0.98 CTSK (0.35) CTSKPIN1NOTUMBTKNTRK1
SCHEMBL212721 0.94 CTSK (0.35) CTSKPIN1NOTUMNTRK1MET
SCHEMBL212719 0.94 CTSK (0.35) CTSKPIN1NOTUMNTRK1MET
SCHEMBL212720 0.94 CTSK (0.35) CTSKPIN1NOTUMNTRK1MET
SCHEMBL210234 0.92 PIN1 (0.38) CTSKPIN1NOTUMNTRK1MET
SCHEMBL210235 0.92 PIN1 (0.38) CTSKPIN1NOTUMNTRK1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CTSK 1455/4885PIN1 4267/4885NOTUM 2164/4885

“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.