Sugi Predict

Sugi Predict / Compounds / SCHEMBL211190

SCHEMBL211190

SCHEMBL211190

CN(C(=O)OC(C)(C)C)C(CNC(=O)OCc1ccccc1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.41
▸ TSHR P16473 1/20 0.37
▸ FSHR P23945 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ BACE1 P56817 4/20 0.36
▸ MAP3K5 Q99683 1/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ WNT1 P04628 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ TOP2B Q02880 1/20 0.34

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
SCHEMBL211189 1.00 SYK (0.42) SYKMAP4K1TSHRFSHRMAPT
SCHEMBL210058 0.92 SYK (0.39) SYKMAP4K1TSHRFSHRMAPT
SCHEMBL2726539 0.92 SYK (0.39) SYKMAP4K1TSHRFSHRMAPT
SCHEMBL211831 0.86 ABCB1 (0.39) SYKMAP4K1TSHRFSHRMAPK1
SCHEMBL211830 0.86 ABCB1 (0.39) SYKMAP4K1TSHRFSHRMAPK1
SCHEMBL9606797 0.85 CTSK (0.41) DYRK1AGSK3BNOTUMCTSK
SCHEMBL13943015 0.82 MAP4K1 (0.42) SYKMAP4K1TSHRFSHRMAPT
SCHEMBL211188 0.82 SYK (0.46) SYKMAP4K1TSHRFSHRMAPT
SCHEMBL210181 0.80 MAP4K1 (0.38) MAP4K1TSHRFSHRMAPTMAPK1
SCHEMBL210182 0.80 MAP4K1 (0.38) MAP4K1TSHRFSHRMAPTMAPK1

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 SYK 2120/4885MAP4K1 1290/4885TSHR 3960/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SYK 2120/4885MAP4K1 1290/4885TSHR 3960/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SYK 2120/4885MAP4K1 1290/4885TSHR 3960/4885

“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.