SCHEMBL2729028

SCHEMBL2729028

CCOP(=O)(OCC)OC[C@H](O)C[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(C)Cc1cccc(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
NLRP3 Q96P20 1/20 0.32
DYRK1A Q13627 3/20 0.32
GSK3B P49841 2/20 0.32
WNT1 P04628 1/20 0.32
CTSK P43235 1/20 0.31
GCK P35557 2/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 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
SCHEMBL2843154 0.97 NOTUM (0.34) NOTUMNLRP3DYRK1AGSK3BWNT1
SCHEMBL211242 0.92 PIN1 (0.36) NOTUMDYRK1AGSK3BWNT1CTSK
SCHEMBL211244 0.92 PIN1 (0.36) NOTUMDYRK1AGSK3BWNT1CTSK
SCHEMBL213534 0.92 PIN1 (0.36) NOTUMDYRK1AGSK3BWNT1CTSK
SCHEMBL211243 0.92 PIN1 (0.36) NOTUMDYRK1AGSK3BWNT1CTSK
SCHEMBL213535 0.92 PIN1 (0.36) NOTUMDYRK1AGSK3BWNT1CTSK
SCHEMBL2843062 0.90 PIN1 (0.36) NOTUMNLRP3DYRK1AGSK3BWNT1
SCHEMBL2842115 0.90 PIN1 (0.36) NOTUMNLRP3DYRK1AGSK3BWNT1
SCHEMBL2873459 0.90 NOTUM (0.36) NOTUMNLRP3DYRK1AGSK3BWNT1
SCHEMBL2846571 0.90 NOTUM (0.36) NOTUMNLRP3DYRK1AGSK3BWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NOTUM 2164/4885NLRP3 4871/4885DYRK1A 4356/4885

“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.