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Sugi Predict / Compounds / SCHEMBL211188

SCHEMBL211188

SCHEMBL211188

CC(C)(C)OC(=O)CN[C@@H](CNC(=O)OCc1ccccc1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.46
▸ MAP4K1 Q92918 1/20 0.41
▸ DYRK1A Q13627 2/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ FSHR P23945 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36

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
SCHEMBL210057 0.92 SYK (0.43) SYKMAP4K1DYRK1AGSK3BMAPT
SCHEMBL210115 0.85 MAP4K1 (0.46) SYKMAP4K1DYRK1AMAPTTSHR
SCHEMBL210114 0.85 MAP4K1 (0.46) SYKMAP4K1DYRK1AMAPTTSHR
SCHEMBL211190 0.82 SYK (0.42) SYKMAP4K1DYRK1AGSK3BMAPT
SCHEMBL211189 0.82 SYK (0.42) SYKMAP4K1DYRK1AGSK3BMAPT
SCHEMBL215102 0.78 SYK (0.60) SYKMAPTNPSR1XBP1TDP1
SCHEMBL211150 0.78 NOTUM (0.42) DYRK1AGSK3BWNT1NOTUM
SCHEMBL211151 0.78 NOTUM (0.42) DYRK1AGSK3BWNT1NOTUM
SCHEMBL211830 0.77 ABCB1 (0.39) SYKMAP4K1DYRK1AGSK3BTSHR
SCHEMBL211831 0.77 ABCB1 (0.39) SYKMAP4K1DYRK1AGSK3BTSHR

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 1290/4885DYRK1A 4356/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SYK 2120/4885MAP4K1 1290/4885DYRK1A 4356/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SYK 2120/4885MAP4K1 1290/4885DYRK1A 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.